CID 9951066

Linaprazan

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CC1=C(C(=CC=C1)C)CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)NCCO
InChI
InChI=1S/C21H26N4O2/c1-13-6-5-7-14(2)18(13)11-23-19-10-17(21(27)22-8-9-26)12-25-16(4)15(3)24-20(19)25/h5-7,10,12,23,26H,8-9,11H2,1-4H3,(H,22,27)
InChIKey
GHVIMBCFLRTFHI-UHFFFAOYSA-N
Compound name
8-[(2,6-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

755
Patents

366.20557 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 191.2
[M+Na]+ 389.19479 199.9
[M-H]- 365.19829 196.2
[M+NH4]+ 384.23939 203.4
[M+K]+ 405.16873 193.9
[M+H-H2O]+ 349.20283 182.0
[M+HCOO]- 411.20377 212.5
[M+CH3COO]- 425.21942 223.9
[M+Na-2H]- 387.18024 192.2
[M]+ 366.20502 195.3
[M]- 366.20612 195.3
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