CID 2754568

13631-92-0

Structural Information

Molecular Formula
C13H15N3O6
SMILES
CCOC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])C(=O)OCC
InChI
InChI=1S/C13H15N3O6/c1-3-21-12(17)11(13(18)22-4-2)15-14-9-7-5-6-8-10(9)16(19)20/h5-8,14H,3-4H2,1-2H3
InChIKey
AXKOQCFOAAOZIU-UHFFFAOYSA-N
Compound name
diethyl 2-[(2-nitrophenyl)hydrazinylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0961 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10338 166.8
[M+Na]+ 332.08532 170.4
[M-H]- 308.08882 171.3
[M+NH4]+ 327.12992 180.1
[M+K]+ 348.05926 166.6
[M+H-H2O]+ 292.09336 163.2
[M+HCOO]- 354.09430 193.0
[M+CH3COO]- 368.10995 203.9
[M+Na-2H]- 330.07077 171.3
[M]+ 309.09555 168.7
[M]- 309.09665 168.7
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.