CID 6162862

N-(1-(((2-methoxyethyl)amino)carbonyl)2-(4-methylphenyl)vinyl)-4-methylbenzamide

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CC1=CC=C(C=C1)/C=C(\C(=O)NCCOC)/NC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C21H24N2O3/c1-15-4-8-17(9-5-15)14-19(21(25)22-12-13-26-3)23-20(24)18-10-6-16(2)7-11-18/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H,23,24)/b19-14+
InChIKey
COHULQPMLRFTKV-XMHGGMMESA-N
Compound name
N-[(E)-3-(2-methoxyethylamino)-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

352.17868 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 187.1
[M+Na]+ 375.16790 190.6
[M-H]- 351.17140 193.1
[M+NH4]+ 370.21250 199.0
[M+K]+ 391.14184 186.9
[M+H-H2O]+ 335.17594 178.0
[M+HCOO]- 397.17688 209.3
[M+CH3COO]- 411.19253 219.8
[M+Na-2H]- 373.15335 187.2
[M]+ 352.17813 188.0
[M]- 352.17923 188.0
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.