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]+ 385.191056 195.9
[M+Na]+ 407.172998 198.9
[M-H]- 383.176504 204.6
[M+NH4]+ 402.217603 205.8
[M+K]+ 423.146938 193.2
[M+H-H2O]+ 367.181040 185.5
[M+HCOO]- 429.181981 217.7
[M+CH3COO]- 443.197631 225.5
[M+Na-2H]- 405.158446 196.5
[M]+ 384.18323142 194.0
[M]- 384.18432858 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.