CID 136056773

Einecs 286-563-5

Structural Information

Molecular Formula
C12H15N3O5
SMILES
C/C(=N\O)/C(=N\O)/C(=O)NC1=C(C=C(C=C1)OC)OC
InChI
InChI=1S/C12H15N3O5/c1-7(14-17)11(15-18)12(16)13-9-5-4-8(19-2)6-10(9)20-3/h4-6,17-18H,1-3H3,(H,13,16)/b14-7+,15-11+
InChIKey
VOIWDDVOOKGQTD-LRDJDILRSA-N
Compound name
(2E,3E)-N-(2,4-dimethoxyphenyl)-2,3-bis(hydroxyimino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10117 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.108446 161.1
[M+Na]+ 304.090388 166.2
[M-H]- 280.093894 164.9
[M+NH4]+ 299.134993 175.9
[M+K]+ 320.064328 166.4
[M+H-H2O]+ 264.098430 153.3
[M+HCOO]- 326.099371 186.4
[M+CH3COO]- 340.115021 206.8
[M+Na-2H]- 302.075836 163.8
[M]+ 281.10062142 163.4
[M]- 281.10171858 163.4
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.