CID 6434418

(e)-4-(acetylamino)-n-(2-(2-chlorophenyl)-1-((cyclohexylamino)carbonyl)ethenyl)benzamide

Structural Information

Molecular Formula
C24H26ClN3O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2Cl)/C(=O)NC3CCCCC3
InChI
InChI=1S/C24H26ClN3O3/c1-16(29)26-20-13-11-17(12-14-20)23(30)28-22(15-18-7-5-6-10-21(18)25)24(31)27-19-8-3-2-4-9-19/h5-7,10-15,19H,2-4,8-9H2,1H3,(H,26,29)(H,27,31)(H,28,30)/b22-15+
InChIKey
ABXVOVWQJHOJOM-PXLXIMEGSA-N
Compound name
4-acetamido-N-[(E)-1-(2-chlorophenyl)-3-(cyclohexylamino)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.16626 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.17354 205.6
[M+Na]+ 462.15548 205.9
[M-H]- 438.15898 213.2
[M+NH4]+ 457.20008 213.5
[M+K]+ 478.12942 200.4
[M+H-H2O]+ 422.16352 196.3
[M+HCOO]- 484.16446 219.6
[M+CH3COO]- 498.18011 234.3
[M+Na-2H]- 460.14093 203.1
[M]+ 439.16571 201.4
[M]- 439.16681 201.4
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.