CID 490791

1h-benzimidazole-5-carboxamide, n-[(1r)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-1-cyclohexyl-2-(3-furanyl)-

Structural Information

Molecular Formula
C27H28N4O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@H](CC4=CC=C(C=C4)O)C(=O)N)N=C2C5=COC=C5
InChI
InChI=1S/C27H28N4O4/c28-25(33)23(14-17-6-9-21(32)10-7-17)30-27(34)18-8-11-24-22(15-18)29-26(19-12-13-35-16-19)31(24)20-4-2-1-3-5-20/h6-13,15-16,20,23,32H,1-5,14H2,(H2,28,33)(H,30,34)/t23-/m1/s1
InChIKey
PTJZZOFOABOXMY-HSZRJFAPSA-N
Compound name
N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

472.21106 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.21834 209.3
[M+Na]+ 495.20028 211.6
[M-H]- 471.20378 219.5
[M+NH4]+ 490.24488 214.8
[M+K]+ 511.17422 207.7
[M+H-H2O]+ 455.20832 199.1
[M+HCOO]- 517.20926 224.6
[M+CH3COO]- 531.22491 215.9
[M+Na-2H]- 493.18573 205.7
[M]+ 472.21051 206.9
[M]- 472.21161 206.9
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.