CID 3012642

N-[2-[3-(3-aminophenyl)anilino]-1-methyl-2-oxo-ethyl]-1-cyclohexyl-2-(3-furyl)benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C33H33N5O3
SMILES
CC(C(=O)NC1=CC=CC(=C1)C2=CC(=CC=C2)N)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=COC=C5)C6CCCCC6
InChI
InChI=1S/C33H33N5O3/c1-21(32(39)36-27-10-6-8-23(18-27)22-7-5-9-26(34)17-22)35-33(40)24-13-14-30-29(19-24)37-31(25-15-16-41-20-25)38(30)28-11-3-2-4-12-28/h5-10,13-21,28H,2-4,11-12,34H2,1H3,(H,35,40)(H,36,39)
InChIKey
HUTWABUXLVLJNS-UHFFFAOYSA-N
Compound name
N-[1-[3-(3-aminophenyl)anilino]-1-oxopropan-2-yl]-1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.25836 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.26564 226.9
[M+Na]+ 570.24758 228.2
[M-H]- 546.25108 240.9
[M+NH4]+ 565.29218 229.3
[M+K]+ 586.22152 223.4
[M+H-H2O]+ 530.25562 215.0
[M+HCOO]- 592.25656 243.3
[M+CH3COO]- 606.27221 232.3
[M+Na-2H]- 568.23303 223.0
[M]+ 547.25781 224.0
[M]- 547.25891 224.0
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.