CID 135624067

Brn 3387047

Structural Information

Molecular Formula
C11H12N4O4
SMILES
C/C(=C(/C(=O)NC)\N=NC1=CC=C(C=C1)[N+](=O)[O-])/O
InChI
InChI=1S/C11H12N4O4/c1-7(16)10(11(17)12-2)14-13-8-3-5-9(6-4-8)15(18)19/h3-6,16H,1-2H3,(H,12,17)/b10-7+,14-13?
InChIKey
VKLYOECRDMOICS-GZECAIDWSA-N
Compound name
(E)-3-hydroxy-N-methyl-2-[(4-nitrophenyl)diazenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08585 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09313 155.0
[M+Na]+ 287.07507 158.9
[M-H]- 263.07857 159.8
[M+NH4]+ 282.11967 169.9
[M+K]+ 303.04901 154.5
[M+H-H2O]+ 247.08311 151.7
[M+HCOO]- 309.08405 182.4
[M+CH3COO]- 323.09970 198.6
[M+Na-2H]- 285.06052 160.5
[M]+ 264.08530 152.7
[M]- 264.08640 152.7
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.