CID 491185

1h-benzimidazole-5-carboxamide, n-[(1s)-2-amino-2-oxo-1-[[5-[[(trifluoromethyl)sulfonyl]amino]-1h-indol-3-yl]methyl]ethyl]-1-cyclohexyl-2-(3-furanyl)-

Structural Information

Molecular Formula
C30H29F3N6O5S
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)NS(=O)(=O)C(F)(F)F)C(=O)N)N=C2C6=COC=C6
InChI
InChI=1S/C30H29F3N6O5S/c31-30(32,33)45(42,43)38-20-7-8-23-22(14-20)19(15-35-23)13-25(27(34)40)37-29(41)17-6-9-26-24(12-17)36-28(18-10-11-44-16-18)39(26)21-4-2-1-3-5-21/h6-12,14-16,21,25,35,38H,1-5,13H2,(H2,34,40)(H,37,41)/t25-/m0/s1
InChIKey
HMWKXHDERMYOFP-VWLOTQADSA-N
Compound name
N-[(2S)-1-amino-1-oxo-3-[5-(trifluoromethylsulfonylamino)-1H-indol-3-yl]propan-2-yl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

642.1872 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.19448 233.6
[M+Na]+ 665.17642 237.4
[M-H]- 641.17992 241.5
[M+NH4]+ 660.22102 234.8
[M+K]+ 681.15036 234.2
[M+H-H2O]+ 625.18446 225.6
[M+HCOO]- 687.18540 240.1
[M+CH3COO]- 701.20105 237.8
[M+Na-2H]- 663.16187 233.0
[M]+ 642.18665 233.7
[M]- 642.18775 233.7
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