CID 490902

1h-benzimidazole-5-carboxamide, 1-cyclohexyl-2-(3-furanyl)-n-[(1s)-2-(4-hydroxyphenyl)-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]-

Structural Information

Molecular Formula
C29H26F3N5O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C5=NOC(=N5)C(F)(F)F)N=C2C6=COC=C6
InChI
InChI=1S/C29H26F3N5O4/c30-29(31,32)28-35-25(36-41-28)23(14-17-6-9-21(38)10-7-17)34-27(39)18-8-11-24-22(15-18)33-26(19-12-13-40-16-19)37(24)20-4-2-1-3-5-20/h6-13,15-16,20,23,38H,1-5,14H2,(H,34,39)/t23-/m0/s1
InChIKey
HVNYCZXKGKWFTJ-QHCPKHFHSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(1S)-2-(4-hydroxyphenyl)-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

565.19366 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.20094 221.9
[M+Na]+ 588.18288 227.6
[M-H]- 564.18638 231.9
[M+NH4]+ 583.22748 222.4
[M+K]+ 604.15682 223.5
[M+H-H2O]+ 548.19092 210.0
[M+HCOO]- 610.19186 232.0
[M+CH3COO]- 624.20751 227.7
[M+Na-2H]- 586.16833 217.0
[M]+ 565.19311 221.7
[M]- 565.19421 221.7
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

patents stripe