CID 6068545

Brn 1661996

Structural Information

Molecular Formula
C23H24N2O2
SMILES
C1CCN(CC1)C(=O)/C(=C\C=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H24N2O2/c26-22(20-14-6-2-7-15-20)24-21(23(27)25-17-8-3-9-18-25)16-10-13-19-11-4-1-5-12-19/h1-2,4-7,10-16H,3,8-9,17-18H2,(H,24,26)/b13-10+,21-16+
InChIKey
PUBXRSITLISZHE-UPPKGELVSA-N
Compound name
N-[(2E,4E)-1-oxo-5-phenyl-1-piperidin-1-ylpenta-2,4-dien-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 188.9
[M+Na]+ 383.17300 189.1
[M-H]- 359.17650 194.7
[M+NH4]+ 378.21760 197.9
[M+K]+ 399.14694 183.2
[M+H-H2O]+ 343.18104 178.0
[M+HCOO]- 405.18198 205.0
[M+CH3COO]- 419.19763 214.4
[M+Na-2H]- 381.15845 188.7
[M]+ 360.18323 181.6
[M]- 360.18433 181.6
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.