CID 9672093

N-(3-methylphenyl)-4-oxo-4-(2-(1-phenylethylidene)hydrazino)butanamide

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC1=CC(=CC=C1)NC(=O)CCC(=O)N/N=C(\C)/C2=CC=CC=C2
InChI
InChI=1S/C19H21N3O2/c1-14-7-6-10-17(13-14)20-18(23)11-12-19(24)22-21-15(2)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,22,24)/b21-15+
InChIKey
KLPPGYLEQLXVAV-RCCKNPSSSA-N
Compound name
N-(3-methylphenyl)-N'-[(E)-1-phenylethylideneamino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 179.7
[M+Na]+ 346.15262 189.7
[M+NH4]+ 341.19722 185.9
[M+K]+ 362.12656 183.1
[M-H]- 322.15612 184.4
[M+Na-2H]- 344.13807 187.1
[M]+ 323.16285 182.1
[M]- 323.16395 182.1
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.