CID 6051836

297145-76-7

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C=C\C2=CC=CC=C2)/C(=O)NC(C)C
InChI
InChI=1S/C22H24N2O2/c1-16(2)23-22(26)20(11-7-10-18-8-5-4-6-9-18)24-21(25)19-14-12-17(3)13-15-19/h4-16H,1-3H3,(H,23,26)(H,24,25)/b10-7-,20-11+
InChIKey
HKFUSQHYCPNOOY-HLLJFSTMSA-N
Compound name
4-methyl-N-[(2E,4Z)-1-oxo-5-phenyl-1-(propan-2-ylamino)penta-2,4-dien-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 188.0
[M+Na]+ 371.17300 190.4
[M-H]- 347.17650 193.5
[M+NH4]+ 366.21760 199.7
[M+K]+ 387.14694 185.6
[M+H-H2O]+ 331.18104 179.0
[M+HCOO]- 393.18198 208.9
[M+CH3COO]- 407.19763 218.8
[M+Na-2H]- 369.15845 186.9
[M]+ 348.18323 186.0
[M]- 348.18433 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.