CID 491230

1h-benzimidazole-5-carboxamide, n-[(1s)-2-amino-2-oxo-1-[[4-(1h-tetrazol-5-yl)phenyl]methyl]ethyl]-1-cyclohexyl-2-(3-furanyl)-

Structural Information

Molecular Formula
C28H28N8O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)C5=NNN=N5)C(=O)N)N=C2C6=COC=C6
InChI
InChI=1S/C28H28N8O3/c29-25(37)23(14-17-6-8-18(9-7-17)26-32-34-35-33-26)31-28(38)19-10-11-24-22(15-19)30-27(20-12-13-39-16-20)36(24)21-4-2-1-3-5-21/h6-13,15-16,21,23H,1-5,14H2,(H2,29,37)(H,31,38)(H,32,33,34,35)/t23-/m0/s1
InChIKey
XEAURHRRDDEVCK-QHCPKHFHSA-N
Compound name
N-[(2S)-1-amino-1-oxo-3-[4-(2H-tetrazol-5-yl)phenyl]propan-2-yl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.22845 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.23573 210.0
[M+Na]+ 547.21767 213.5
[M-H]- 523.22117 220.4
[M+NH4]+ 542.26227 209.8
[M+K]+ 563.19161 208.3
[M+H-H2O]+ 507.22571 198.2
[M+HCOO]- 569.22665 223.1
[M+CH3COO]- 583.24230 215.5
[M+Na-2H]- 545.20312 206.2
[M]+ 524.22790 208.7
[M]- 524.22900 208.7
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.