CID 3007940

6-(4,5-dihydro-1h-imidazol-2-yl)-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1h-benzimidazole

Structural Information

Molecular Formula
C25H24N4O
SMILES
COC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C5=NCCN5
InChI
InChI=1S/C25H24N4O/c1-30-21-11-6-18(7-12-21)3-2-17-4-8-19(9-5-17)25-28-22-13-10-20(16-23(22)29-25)24-26-14-15-27-24/h4-13,16H,2-3,14-15H2,1H3,(H,26,27)(H,28,29)
InChIKey
HWCNERJQHDNBEF-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.195 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20228 195.1
[M+Na]+ 419.18422 202.9
[M-H]- 395.18772 201.9
[M+NH4]+ 414.22882 203.4
[M+K]+ 435.15816 193.5
[M+H-H2O]+ 379.19226 183.4
[M+HCOO]- 441.19320 211.3
[M+CH3COO]- 455.20885 203.3
[M+Na-2H]- 417.16967 194.9
[M]+ 396.19445 194.4
[M]- 396.19555 194.4
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

No patent data available for this compound.