CID 5743088

1-cyclohexyl-2-(3-furyl)-n-[(1r)-1-methyl-2-[(4-methyl-2-oxo-chromen-7-yl)amino]-2-oxo-ethyl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C31H30N4O5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H](C)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6
InChI
InChI=1S/C31H30N4O5/c1-18-14-28(36)40-27-16-22(9-10-24(18)27)33-30(37)19(2)32-31(38)20-8-11-26-25(15-20)34-29(21-12-13-39-17-21)35(26)23-6-4-3-5-7-23/h8-17,19,23H,3-7H2,1-2H3,(H,32,38)(H,33,37)/t19-/m1/s1
InChIKey
IWLMHBQNEYQMPE-LJQANCHMSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[(2R)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.2216 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.22888 227.2
[M+Na]+ 561.21082 232.1
[M-H]- 537.21432 241.2
[M+NH4]+ 556.25542 230.7
[M+K]+ 577.18476 229.4
[M+H-H2O]+ 521.21886 216.7
[M+HCOO]- 583.21980 243.0
[M+CH3COO]- 597.23545 234.2
[M+Na-2H]- 559.19627 224.8
[M]+ 538.22105 230.6
[M]- 538.22215 230.6
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.