CID 680552

51921-67-6

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]+ 349.191056 184.1
[M+Na]+ 371.172998 183.5
[M-H]- 347.176504 191.3
[M+NH4]+ 366.217603 194.6
[M+K]+ 387.146938 178.8
[M+H-H2O]+ 331.181040 174.0
[M+HCOO]- 393.181981 202.7
[M+CH3COO]- 407.197631 215.4
[M+Na-2H]- 369.158446 184.8
[M]+ 348.18323142 176.1
[M]- 348.18432858 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