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]+ 282.10845 161.1
[M+Na]+ 304.09039 166.2
[M-H]- 280.09389 164.9
[M+NH4]+ 299.13499 175.9
[M+K]+ 320.06433 166.4
[M+H-H2O]+ 264.09843 153.3
[M+HCOO]- 326.09937 186.4
[M+CH3COO]- 340.11502 206.8
[M+Na-2H]- 302.07584 163.8
[M]+ 281.10062 163.4
[M]- 281.10172 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.