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]+ 324.170676 178.8
[M+Na]+ 346.152618 181.9
[M-H]- 322.156124 186.0
[M+NH4]+ 341.197223 191.9
[M+K]+ 362.126558 178.8
[M+H-H2O]+ 306.160660 169.3
[M+HCOO]- 368.161601 204.0
[M+CH3COO]- 382.177251 218.0
[M+Na-2H]- 344.138066 181.4
[M]+ 323.16285142 178.3
[M]- 323.16394858 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.