CID 135599741

2-((4-chloro-2-nitrophenyl)hydrazono)-n-methyl-3-oxobutanamide

Structural Information

Molecular Formula
C11H11ClN4O4
SMILES
C/C(=C(\C(=O)NC)/N=NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])/O
InChI
InChI=1S/C11H11ClN4O4/c1-6(17)10(11(18)13-2)15-14-8-4-3-7(12)5-9(8)16(19)20/h3-5,17H,1-2H3,(H,13,18)/b10-6-,15-14?
InChIKey
IEONUCLUENJQFQ-LODOUNJWSA-N
Compound name
(Z)-2-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-N-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.04688 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05416 163.3
[M+Na]+ 321.03610 168.5
[M-H]- 297.03960 168.1
[M+NH4]+ 316.08070 177.9
[M+K]+ 337.01004 162.4
[M+H-H2O]+ 281.04414 161.5
[M+HCOO]- 343.04508 186.3
[M+CH3COO]- 357.06073 203.5
[M+Na-2H]- 319.02155 167.5
[M]+ 298.04633 163.7
[M]- 298.04743 163.7
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.