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 178.8
[M+Na]+ 346.15262 181.9
[M-H]- 322.15612 186.0
[M+NH4]+ 341.19722 191.9
[M+K]+ 362.12656 178.8
[M+H-H2O]+ 306.16066 169.3
[M+HCOO]- 368.16160 204.0
[M+CH3COO]- 382.17725 218.0
[M+Na-2H]- 344.13807 181.4
[M]+ 323.16285 178.3
[M]- 323.16395 178.3
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.