CID 138622158

Zastaprazan

Structural Information

Molecular Formula

C₂₂H₂₆N₄O

SMILES

CC1=C(C(=CC=C1)C)CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)N4CCC4

InChI

InChI=1S/C22H26N4O/c1-14-7-5-8-15(2)19(14)12-23-20-11-18(22(27)25-9-6-10-25)13-26-17(4)16(3)24-21(20)26/h5,7-8,11,13,23H,6,9-10,12H2,1-4H3

InChIKey

FEQFUBYYZYQTOJ-UHFFFAOYSA-N

Compound name

azetidin-1-yl-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 18
Patents: 362.21066 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

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]+	363.217936	193.0
[M+Na]+	385.199878	200.8
[M-H]-	361.203384	200.1
[M+NH4]+	380.244483	198.3
[M+K]+	401.173818	197.6
[M+H-H2O]+	345.207920	177.1
[M+HCOO]-	407.208861	210.8
[M+CH3COO]-	421.224511	224.9
[M+Na-2H]-	383.185326	191.9
[M]+	362.21011142	204.3
[M]-	362.21120858	204.3

Literature stripe

literature stripe

Patent stripe

patents stripe