PubChemLite - Pf-06273340 (C23H22ClN7O3)

Structural Information

Molecular Formula

SMILES

CC(C)(CO)N1C=C(C2=CN=C(N=C21)N)C(=O)C3=CC(=CN=C3)NC(=O)CC4=NC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN7O3/c1-23(2,12-32)31-11-18(17-10-28-22(25)30-21(17)31)20(34)13-5-16(9-26-7-13)29-19(33)6-15-4-3-14(24)8-27-15/h3-5,7-11,32H,6,12H2,1-2H3,(H,29,33)(H2,25,28,30)

InChIKey

BPIWZDNVMQQBQX-UHFFFAOYSA-N

Compound name

N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl]-2-(5-chloropyridin-2-yl)acetamide

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]+	480.15456	211.5
[M+Na]+	502.13650	224.8
[M+NH4]+	497.18110	214.6
[M+K]+	518.11044	221.7
[M-H]-	478.14000	214.0
[M+Na-2H]-	500.12195	218.2
[M]+	479.14673	214.1
[M]-	479.14783	214.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.15456

211.5

[M+Na]+

502.13650

224.8

[M+NH4]+

497.18110

214.6

[M+K]+

518.11044

221.7

[M-H]-

478.14000

214.0

[M+Na-2H]-

500.12195

218.2

[M]+

479.14673

214.1

[M]-

479.14783

214.1

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

Pf-06273340

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe