CID 3012641

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

Structural Information

Molecular Formula
C33H32N4O4
SMILES
CC(C(=O)NC1=CC=CC(=C1)C2=CC=C(C=C2)O)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6
InChI
InChI=1S/C33H32N4O4/c1-21(32(39)35-26-7-5-6-23(18-26)22-10-13-28(38)14-11-22)34-33(40)24-12-15-30-29(19-24)36-31(25-16-17-41-20-25)37(30)27-8-3-2-4-9-27/h5-7,10-21,27,38H,2-4,8-9H2,1H3,(H,34,40)(H,35,39)
InChIKey
CLABUKLRCKAJBD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(furan-3-yl)-N-[1-[3-(4-hydroxyphenyl)anilino]-1-oxopropan-2-yl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.2424 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.24968 226.6
[M+Na]+ 571.23162 228.1
[M-H]- 547.23512 240.0
[M+NH4]+ 566.27622 228.8
[M+K]+ 587.20556 223.5
[M+H-H2O]+ 531.23966 215.2
[M+HCOO]- 593.24060 241.3
[M+CH3COO]- 607.25625 232.0
[M+Na-2H]- 569.21707 222.4
[M]+ 548.24185 224.7
[M]- 548.24295 224.7
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.