CID 72193870

Brd4770

Structural Information

Molecular Formula
C25H23N3O3
SMILES
COC(=O)C1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=CC=C3)CCCC4=CC=CC=C4
InChI
InChI=1S/C25H23N3O3/c1-31-24(30)20-14-15-22-21(17-20)26-25(27-23(29)19-12-6-3-7-13-19)28(22)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H,26,27,29)
InChIKey
UCGWYCMPZXDHNR-UHFFFAOYSA-N
Compound name
methyl 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

157
Patents

413.17395 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.181226 200.6
[M+Na]+ 436.163168 207.0
[M-H]- 412.166674 208.8
[M+NH4]+ 431.207773 210.0
[M+K]+ 452.137108 201.0
[M+H-H2O]+ 396.171210 189.2
[M+HCOO]- 458.172151 221.5
[M+CH3COO]- 472.187801 209.5
[M+Na-2H]- 434.148616 202.7
[M]+ 413.17340142 204.4
[M]- 413.17449858 204.4
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