CID 9639453

2-(2-(4-chlorobenzylidene)hydrazino)-n-(4-methylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C16H14ClN3O2
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H14ClN3O2/c1-11-2-8-14(9-3-11)19-15(21)16(22)20-18-10-12-4-6-13(17)7-5-12/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKey
IQRVGHWLSKKNFF-VCHYOVAHSA-N
Compound name
N'-[(E)-(4-chlorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.07745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08473 173.0
[M+Na]+ 338.06667 179.7
[M-H]- 314.07017 181.0
[M+NH4]+ 333.11127 188.0
[M+K]+ 354.04061 174.8
[M+H-H2O]+ 298.07471 165.1
[M+HCOO]- 360.07565 195.8
[M+CH3COO]- 374.09130 212.3
[M+Na-2H]- 336.05212 177.1
[M]+ 315.07690 174.9
[M]- 315.07800 174.9
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.