PubChemLite - Azd4573 (C22H28ClN5O2)

Structural Information

Molecular Formula

SMILES

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=C(C(=C2)C3=C4CC(CN4N=C3)(C)C)Cl

InChI

InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1

InChIKey

AVIWDYSJSPOOAR-LSDHHAIUSA-N

Compound name

(1S,3R)-3-acetamido-N-[5-chloro-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-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]+	430.20043	203.4
[M+Na]+	452.18237	208.9
[M-H]-	428.18587	210.0
[M+NH4]+	447.22697	215.8
[M+K]+	468.15631	203.0
[M+H-H2O]+	412.19041	193.9
[M+HCOO]-	474.19135	214.3
[M+CH3COO]-	488.20700	211.0
[M+Na-2H]-	450.16782	199.5
[M]+	429.19260	202.3
[M]-	429.19370	202.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.20043

203.4

[M+Na]+

452.18237

208.9

[M-H]-

428.18587

210.0

[M+NH4]+

447.22697

215.8

[M+K]+

468.15631

203.0

[M+H-H2O]+

412.19041

193.9

[M+HCOO]-

474.19135

214.3

[M+CH3COO]-

488.20700

211.0

[M+Na-2H]-

450.16782

199.5

[M]+

429.19260

202.3

[M]-

429.19370

202.3

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

Azd4573

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe