PubChemLite - Pf-06764427 (C24H25N5O3)

Structural Information

Molecular Formula

SMILES

CN1C=CC(=N1)C2=CC=C(C=C2)CN3C=C(C4=C3C=CC=N4)C(=O)N[C@@H]5CCOC[C@H]5O

InChI

InChI=1S/C24H25N5O3/c1-28-11-8-19(27-28)17-6-4-16(5-7-17)13-29-14-18(23-21(29)3-2-10-25-23)24(31)26-20-9-12-32-15-22(20)30/h2-8,10-11,14,20,22,30H,9,12-13,15H2,1H3,(H,26,31)/t20-,22-/m1/s1

InChIKey

FQGJDGJXEZTKDW-IFMALSPDSA-N

Compound name

N-[(3S,4R)-3-hydroxyoxan-4-yl]-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-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]+	432.20302	201.5
[M+Na]+	454.18496	207.9
[M-H]-	430.18846	210.3
[M+NH4]+	449.22956	207.3
[M+K]+	470.15890	202.3
[M+H-H2O]+	414.19300	190.0
[M+HCOO]-	476.19394	216.3
[M+CH3COO]-	490.20959	209.3
[M+Na-2H]-	452.17041	199.8
[M]+	431.19519	201.4
[M]-	431.19629	201.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

432.20302

201.5

[M+Na]+

454.18496

207.9

[M-H]-

430.18846

210.3

[M+NH4]+

449.22956

207.3

[M+K]+

470.15890

202.3

[M+H-H2O]+

414.19300

190.0

[M+HCOO]-

476.19394

216.3

[M+CH3COO]-

490.20959

209.3

[M+Na-2H]-

452.17041

199.8

[M]+

431.19519

201.4

[M]-

431.19629

201.4

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

Pf-06764427

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe