CID 490763

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

Structural Information

Molecular Formula
C27H29N3O3
SMILES
C[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5
InChI
InChI=1S/C27H29N3O3/c1-18(15-19-7-10-23(31)11-8-19)28-27(32)20-9-12-25-24(16-20)29-26(21-13-14-33-17-21)30(25)22-5-3-2-4-6-22/h7-14,16-18,22,31H,2-6,15H2,1H3,(H,28,32)/t18-/m1/s1
InChIKey
GQWBIGABFUWXQE-GOSISDBHSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.2209 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.22818 206.0
[M+Na]+ 466.21012 209.8
[M-H]- 442.21362 216.4
[M+NH4]+ 461.25472 213.6
[M+K]+ 482.18406 204.8
[M+H-H2O]+ 426.21816 195.7
[M+HCOO]- 488.21910 221.5
[M+CH3COO]- 502.23475 213.5
[M+Na-2H]- 464.19557 202.7
[M]+ 443.22035 204.8
[M]- 443.22145 204.8
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.