CID 490731

1-cyclohexyl-n-[1-(3,4-dimethoxyphenyl)-2-methyl-propyl]-2-(3-furyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C30H35N3O4
SMILES
CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5
InChI
InChI=1S/C30H35N3O4/c1-19(2)28(20-11-13-26(35-3)27(17-20)36-4)32-30(34)21-10-12-25-24(16-21)31-29(22-14-15-37-18-22)33(25)23-8-6-5-7-9-23/h10-19,23,28H,5-9H2,1-4H3,(H,32,34)
InChIKey
ZJLJPYGRNSJFKP-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.26276 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.27004 222.8
[M+Na]+ 524.25198 225.7
[M-H]- 500.25548 234.4
[M+NH4]+ 519.29658 228.7
[M+K]+ 540.22592 222.5
[M+H-H2O]+ 484.26002 212.1
[M+HCOO]- 546.26096 237.7
[M+CH3COO]- 560.27661 229.5
[M+Na-2H]- 522.23743 216.8
[M]+ 501.26221 225.4
[M]- 501.26331 225.4
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.