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
1
Annotation Hits

2
References

17
Patents

362.21066 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21794 193.0
[M+Na]+ 385.19988 200.8
[M-H]- 361.20338 200.1
[M+NH4]+ 380.24448 198.3
[M+K]+ 401.17382 197.6
[M+H-H2O]+ 345.20792 177.1
[M+HCOO]- 407.20886 210.8
[M+CH3COO]- 421.22451 224.9
[M+Na-2H]- 383.18533 191.9
[M]+ 362.21011 204.3
[M]- 362.21121 204.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe