CID 680552

(e)-n-(1-((cyclohexylamino)carbonyl)-2-phenylethenyl)benzamide

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1CCC(CC1)NC(=O)/C(=C/C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H24N2O2/c25-21(18-12-6-2-7-13-18)24-20(16-17-10-4-1-5-11-17)22(26)23-19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,23,26)(H,24,25)/b20-16-
InChIKey
UIMYJIQLVWVVND-SILNSSARSA-N
Compound name
N-[(Z)-3-(cyclohexylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 184.1
[M+Na]+ 371.17300 183.5
[M-H]- 347.17650 191.3
[M+NH4]+ 366.21760 194.6
[M+K]+ 387.14694 178.8
[M+H-H2O]+ 331.18104 174.0
[M+HCOO]- 393.18198 202.7
[M+CH3COO]- 407.19763 215.4
[M+Na-2H]- 369.15845 184.8
[M]+ 348.18323 176.1
[M]- 348.18433 176.1
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