CID 490904

Benzyl n-[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]carbamate

Structural Information

Molecular Formula
C26H25N3O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(=O)OCC4=CC=CC=C4)N=C2C5=COC=C5
InChI
InChI=1S/C26H25N3O4/c30-25(28-26(31)33-16-18-7-3-1-4-8-18)19-11-12-23-22(15-19)27-24(20-13-14-32-17-20)29(23)21-9-5-2-6-10-21/h1,3-4,7-8,11-15,17,21H,2,5-6,9-10,16H2,(H,28,30,31)
InChIKey
UBOBIEXLJBVYJT-UHFFFAOYSA-N
Compound name
benzyl N-[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1845 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19178 203.5
[M+Na]+ 466.17372 207.5
[M-H]- 442.17722 215.1
[M+NH4]+ 461.21832 211.5
[M+K]+ 482.14766 203.7
[M+H-H2O]+ 426.18176 192.8
[M+HCOO]- 488.18270 221.2
[M+CH3COO]- 502.19835 211.7
[M+Na-2H]- 464.15917 201.9
[M]+ 443.18395 203.8
[M]- 443.18505 203.8
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.