CID 490910

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

Structural Information

Molecular Formula
C30H32FN3O3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CC=C4F)C5CCCCC5)OC
InChI
InChI=1S/C30H32FN3O3/c1-36-27-15-12-20(18-28(27)37-2)16-17-32-30(35)21-13-14-26-25(19-21)33-29(23-10-6-7-11-24(23)31)34(26)22-8-4-3-5-9-22/h6-7,10-15,18-19,22H,3-5,8-9,16-17H2,1-2H3,(H,32,35)
InChIKey
ZXVNRGVWBCHOSO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.24277 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.25005 224.3
[M+Na]+ 524.23199 229.1
[M-H]- 500.23549 233.3
[M+NH4]+ 519.27659 229.8
[M+K]+ 540.20593 221.8
[M+H-H2O]+ 484.24003 210.2
[M+HCOO]- 546.24097 239.7
[M+CH3COO]- 560.25662 230.5
[M+Na-2H]- 522.21744 221.2
[M]+ 501.24222 224.2
[M]- 501.24332 224.2
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.