CID 9570643

Brn 1826313

Structural Information

Molecular Formula
C13H14N4O4
SMILES
CCCCOC(=O)/C(=N/NC1=CC(=CC=C1)[N+](=O)[O-])/C#N
InChI
InChI=1S/C13H14N4O4/c1-2-3-7-21-13(18)12(9-14)16-15-10-5-4-6-11(8-10)17(19)20/h4-6,8,15H,2-3,7H2,1H3/b16-12+
InChIKey
RVYUVNDPHNBBEN-FOWTUZBSSA-N
Compound name
butyl (2E)-2-cyano-2-[(3-nitrophenyl)hydrazinylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10878 168.1
[M+Na]+ 313.09072 176.9
[M+NH4]+ 308.13532 170.1
[M+K]+ 329.06466 171.2
[M-H]- 289.09422 163.2
[M+Na-2H]- 311.07617 169.4
[M]+ 290.10095 166.6
[M]- 290.10205 166.6
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.