CID 490909

1-cyclohexyl-n-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenyl-benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C30H33N3O3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=C4)C5CCCCC5)OC
InChI
InChI=1S/C30H33N3O3/c1-35-27-16-13-21(19-28(27)36-2)17-18-31-30(34)23-14-15-26-25(20-23)32-29(22-9-5-3-6-10-22)33(26)24-11-7-4-8-12-24/h3,5-6,9-10,13-16,19-20,24H,4,7-8,11-12,17-18H2,1-2H3,(H,31,34)
InChIKey
JEAQBTNEFCQRLG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.2522 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.25948 219.9
[M+Na]+ 506.24142 223.7
[M-H]- 482.24492 229.9
[M+NH4]+ 501.28602 225.9
[M+K]+ 522.21536 217.0
[M+H-H2O]+ 466.24946 206.6
[M+HCOO]- 528.25040 236.4
[M+CH3COO]- 542.26605 226.4
[M+Na-2H]- 504.22687 218.2
[M]+ 483.25165 220.3
[M]- 483.25275 220.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.