PubChemLite - N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide (C24H21F2N5O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)NC3=CC(=O)N(C4=C3C=NN4C5=C(C=C(C=C5)F)F)C

InChI

InChI=1S/C24H21F2N5O2/c1-13-3-4-14(23(33)28-16-6-7-16)9-19(13)29-20-11-22(32)30(2)24-17(20)12-27-31(24)21-8-5-15(25)10-18(21)26/h3-5,8-12,16,29H,6-7H2,1-2H3,(H,28,33)

InChIKey

WMEYCLAVMZKZCS-UHFFFAOYSA-N

Compound name

N-cyclopropyl-3-[[1-(2,4-difluorophenyl)-7-methyl-6-oxopyrazolo[3,4-b]pyridin-4-yl]amino]-4-methylbenzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	450.17360	207.3
[M+Na]+	472.15554	219.6
[M-H]-	448.15904	216.2
[M+NH4]+	467.20014	210.3
[M+K]+	488.12948	209.5
[M+H-H2O]+	432.16358	195.3
[M+HCOO]-	494.16452	227.2
[M+CH3COO]-	508.18017	215.8
[M+Na-2H]-	470.14099	206.8
[M]+	449.16577	211.1
[M]-	449.16687	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.17360

207.3

[M+Na]+

472.15554

219.6

[M-H]-

448.15904

216.2

[M+NH4]+

467.20014

210.3

[M+K]+

488.12948

209.5

[M+H-H2O]+

432.16358

195.3

[M+HCOO]-

494.16452

227.2

[M+CH3COO]-

508.18017

215.8

[M+Na-2H]-

470.14099

206.8

[M]+

449.16577

211.1

[M]-

449.16687

211.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1h-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe