CID 490746

1-cyclohexyl-2-(3-furyl)-n-[(1s)-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C27H29N3O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)CO)N=C2C5=COC=C5
InChI
InChI=1S/C27H29N3O4/c31-16-21(14-18-6-9-23(32)10-7-18)28-27(33)19-8-11-25-24(15-19)29-26(20-12-13-34-17-20)30(25)22-4-2-1-3-5-22/h6-13,15,17,21-22,31-32H,1-5,14,16H2,(H,28,33)/t21-/m0/s1
InChIKey
NDRNQZGAOYBBBM-NRFANRHFSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.21582 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.22310 207.1
[M+Na]+ 482.20504 210.1
[M-H]- 458.20854 216.3
[M+NH4]+ 477.24964 213.3
[M+K]+ 498.17898 205.4
[M+H-H2O]+ 442.21308 197.1
[M+HCOO]- 504.21402 221.4
[M+CH3COO]- 518.22967 213.9
[M+Na-2H]- 480.19049 204.0
[M]+ 459.21527 205.7
[M]- 459.21637 205.7
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.