CID 45054169

4-me-n-(2-(2-(2-methyl-3-phenyl-2-propenylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C(=C\C2=CC=CC=C2)/C
InChI
InChI=1S/C20H21N3O2/c1-15-8-10-18(11-9-15)20(25)21-14-19(24)23-22-13-16(2)12-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,21,25)(H,23,24)/b16-12-,22-13+
InChIKey
PSOMYXOPUOXLCI-BXKXQWCYSA-N
Compound name
4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.170676 182.4
[M+Na]+ 358.152618 185.5
[M-H]- 334.156124 189.6
[M+NH4]+ 353.197223 195.1
[M+K]+ 374.126558 181.5
[M+H-H2O]+ 318.160660 172.9
[M+HCOO]- 380.161601 207.5
[M+CH3COO]- 394.177251 219.5
[M+Na-2H]- 356.138066 184.6
[M]+ 335.16285142 181.5
[M]- 335.16394858 181.5
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.