CID 5838209

N-(1-((benzylamino)carbonyl)-2-(4-methylphenyl)vinyl)-4-methylbenzamide

Structural Information

Molecular Formula
C25H24N2O2
SMILES
CC1=CC=C(C=C1)/C=C(\C(=O)NCC2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C25H24N2O2/c1-18-8-12-20(13-9-18)16-23(25(29)26-17-21-6-4-3-5-7-21)27-24(28)22-14-10-19(2)11-15-22/h3-16H,17H2,1-2H3,(H,26,29)(H,27,28)/b23-16+
InChIKey
JRMMWMZQRKWHKM-XQNSMLJCSA-N
Compound name
N-[(E)-3-(benzylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.18378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19106 195.9
[M+Na]+ 407.17300 198.9
[M-H]- 383.17650 204.6
[M+NH4]+ 402.21760 205.8
[M+K]+ 423.14694 193.2
[M+H-H2O]+ 367.18104 185.5
[M+HCOO]- 429.18198 217.7
[M+CH3COO]- 443.19763 225.5
[M+Na-2H]- 405.15845 196.5
[M]+ 384.18323 194.0
[M]- 384.18433 194.0
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.