CID 490950

1-cyclohexyl-n-[(1r)-1-(3-ethoxy-4-methoxy-phenyl)ethyl]-2-(2-furyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C29H33N3O4
SMILES
CCOC1=C(C=CC(=C1)[C@@H](C)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=CO4)C5CCCCC5)OC
InChI
InChI=1S/C29H33N3O4/c1-4-35-27-18-20(13-15-25(27)34-3)19(2)30-29(33)21-12-14-24-23(17-21)31-28(26-11-8-16-36-26)32(24)22-9-6-5-7-10-22/h8,11-19,22H,4-7,9-10H2,1-3H3,(H,30,33)/t19-/m1/s1
InChIKey
SPRJUVQQMRRILA-LJQANCHMSA-N
Compound name
1-cyclohexyl-N-[(1R)-1-(3-ethoxy-4-methoxyphenyl)ethyl]-2-(furan-2-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.2471 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.25438 218.6
[M+Na]+ 510.23632 222.4
[M-H]- 486.23982 230.3
[M+NH4]+ 505.28092 225.2
[M+K]+ 526.21026 218.7
[M+H-H2O]+ 470.24436 207.7
[M+HCOO]- 532.24530 234.9
[M+CH3COO]- 546.26095 225.9
[M+Na-2H]- 508.22177 214.1
[M]+ 487.24655 221.4
[M]- 487.24765 221.4
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.