CID 6438873

Indomethacin imidazole

Structural Information

Molecular Formula
C24H22N2O
SMILES
CC1=CC=C(C=C1)N=C/C=C/N(C2=CC=C(C=C2)C)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H22N2O/c1-19-9-13-22(14-10-19)25-17-6-18-26(23-15-11-20(2)12-16-23)24(27)21-7-4-3-5-8-21/h3-18H,1-2H3/b18-6+,25-17?
InChIKey
SLHWYLAXXYDOAV-ZOBWOZJLSA-N
Compound name
N-(4-methylphenyl)-N-[(E)-3-(4-methylphenyl)iminoprop-1-enyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

354.17322 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18050 188.7
[M+Na]+ 377.16244 193.5
[M-H]- 353.16594 200.2
[M+NH4]+ 372.20704 201.4
[M+K]+ 393.13638 188.2
[M+H-H2O]+ 337.17048 177.8
[M+HCOO]- 399.17142 214.6
[M+CH3COO]- 413.18707 224.3
[M+Na-2H]- 375.14789 191.5
[M]+ 354.17267 189.3
[M]- 354.17377 189.3
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