CID 5357576

Ethyl (2e)-2-[(3-nitrophenyl)hydrazinylidene]propanoate

Structural Information

Molecular Formula
C11H13N3O4
SMILES
CCOC(=O)/C(=N/NC1=CC(=CC=C1)[N+](=O)[O-])/C
InChI
InChI=1S/C11H13N3O4/c1-3-18-11(15)8(2)12-13-9-5-4-6-10(7-9)14(16)17/h4-7,13H,3H2,1-2H3/b12-8+
InChIKey
SXBCOJHYBVQZQX-XYOKQWHBSA-N
Compound name
ethyl (2E)-2-[(3-nitrophenyl)hydrazinylidene]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

251.0906 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 153.8
[M+Na]+ 274.07982 163.7
[M+NH4]+ 269.12442 159.8
[M+K]+ 290.05376 161.8
[M-H]- 250.08332 156.6
[M+Na-2H]- 272.06527 158.6
[M]+ 251.09005 155.4
[M]- 251.09115 155.4
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

patents stripe