CID 72164

Trifenagrel

Structural Information

Molecular Formula
C25H25N3O
SMILES
CN(C)CCOC1=CC=CC=C1C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H25N3O/c1-28(2)17-18-29-22-16-10-9-15-21(22)25-26-23(19-11-5-3-6-12-19)24(27-25)20-13-7-4-8-14-20/h3-16H,17-18H2,1-2H3,(H,26,27)
InChIKey
KGVYOGLFOPNPDJ-UHFFFAOYSA-N
Compound name
2-[2-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

836
Patents

383.19977 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20705 194.1
[M+Na]+ 406.18899 199.6
[M-H]- 382.19249 204.0
[M+NH4]+ 401.23359 203.5
[M+K]+ 422.16293 192.8
[M+H-H2O]+ 366.19703 182.0
[M+HCOO]- 428.19797 215.4
[M+CH3COO]- 442.21362 203.2
[M+Na-2H]- 404.17444 195.6
[M]+ 383.19922 194.5
[M]- 383.20032 194.5
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