PubChemLite - Cvn424 (C24H29F2N5O3)

Structural Information

Molecular Formula

SMILES

CC(=O)N1CCC2=C(C1)N=C(C(=N2)N3CCC(CC3)OC4=C(C=C(C=C4)F)F)N[C@@H]5CCOC5

InChI

InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1

InChIKey

HSWVJQBEXRKOBZ-QGZVFWFLSA-N

Compound name

1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[[(3R)-oxolan-3-yl]amino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

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]+	474.23113	215.5
[M+Na]+	496.21307	218.6
[M-H]-	472.21657	220.2
[M+NH4]+	491.25767	217.8
[M+K]+	512.18701	212.9
[M+H-H2O]+	456.22111	200.1
[M+HCOO]-	518.22205	221.4
[M+CH3COO]-	532.23770	219.7
[M+Na-2H]-	494.19852	210.0
[M]+	473.22330	207.5
[M]-	473.22440	207.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.23113

215.5

[M+Na]+

496.21307

218.6

[M-H]-

472.21657

220.2

[M+NH4]+

491.25767

217.8

[M+K]+

512.18701

212.9

[M+H-H2O]+

456.22111

200.1

[M+HCOO]-

518.22205

221.4

[M+CH3COO]-

532.23770

219.7

[M+Na-2H]-

494.19852

210.0

[M]+

473.22330

207.5

[M]-

473.22440

207.5

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

Cvn424

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe