CID 51060996

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

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C19H18ClN3O2/c1-14(10-15-6-3-2-4-7-15)12-22-23-18(24)13-21-19(25)16-8-5-9-17(20)11-16/h2-12H,13H2,1H3,(H,21,25)(H,23,24)/b14-10-,22-12+
InChIKey
QBZPIKQQBLSNGQ-CIQAXZLMSA-N
Compound name
3-chloro-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

355.10876 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 185.6
[M+Na]+ 378.09798 190.0
[M-H]- 354.10148 192.8
[M+NH4]+ 373.14258 198.4
[M+K]+ 394.07192 184.4
[M+H-H2O]+ 338.10602 177.1
[M+HCOO]- 400.10696 206.6
[M+CH3COO]- 414.12261 220.1
[M+Na-2H]- 376.08343 187.7
[M]+ 355.10821 186.9
[M]- 355.10931 186.9
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.