PubChemLite - 2272904-53-5 (C23H24N8O3)

Structural Information

Molecular Formula

SMILES

CNC1=CC(=NC2=C(C=NN12)C(=O)N[C@@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)C5=CC=CC=N5

InChI

InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1

InChIKey

BWINBHTTZLVXGT-NVXWUHKLSA-N

Compound name

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[(2-oxo-1-pyridin-2-ylpyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

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]+	461.20442	211.3
[M+Na]+	483.18636	216.6
[M-H]-	459.18986	218.8
[M+NH4]+	478.23096	208.0
[M+K]+	499.16030	213.9
[M+H-H2O]+	443.19440	191.4
[M+HCOO]-	505.19534	229.0
[M+CH3COO]-	519.21099	217.4
[M+Na-2H]-	481.17181	213.9
[M]+	460.19659	221.4
[M]-	460.19769	221.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.20442

211.3

[M+Na]+

483.18636

216.6

[M-H]-

459.18986

218.8

[M+NH4]+

478.23096

208.0

[M+K]+

499.16030

213.9

[M+H-H2O]+

443.19440

191.4

[M+HCOO]-

505.19534

229.0

[M+CH3COO]-

519.21099

217.4

[M+Na-2H]-

481.17181

213.9

[M]+

460.19659

221.4

[M]-

460.19769

221.4

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

2272904-53-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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