CID 135624062

Brn 4819387

Structural Information

Molecular Formula
C12H14N4O5
SMILES
C/C(=C(/C(=O)NC)\N=NC1=C(C=C(C=C1)[N+](=O)[O-])OC)/O
InChI
InChI=1S/C12H14N4O5/c1-7(17)11(12(18)13-2)15-14-9-5-4-8(16(19)20)6-10(9)21-3/h4-6,17H,1-3H3,(H,13,18)/b11-7+,15-14?
InChIKey
GZMAUZIDLRCDJV-WMHIGHTASA-N
Compound name
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10368 162.0
[M+Na]+ 317.08562 166.2
[M-H]- 293.08912 167.0
[M+NH4]+ 312.13022 175.9
[M+K]+ 333.05956 162.2
[M+H-H2O]+ 277.09366 158.6
[M+HCOO]- 339.09460 189.3
[M+CH3COO]- 353.11025 205.0
[M+Na-2H]- 315.07107 166.7
[M]+ 294.09585 161.8
[M]- 294.09695 161.8
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.