CID 9570645

Cyanoglyoxylic acid isobutyl ester 2-(p-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C13H14N4O4
SMILES
CC(C)COC(=O)/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/C#N
InChI
InChI=1S/C13H14N4O4/c1-9(2)8-21-13(18)12(7-14)16-15-10-3-5-11(6-4-10)17(19)20/h3-6,9,15H,8H2,1-2H3/b16-12+
InChIKey
NDTNOLDQTXMCTP-FOWTUZBSSA-N
Compound name
2-methylpropyl (2E)-2-cyano-2-[(4-nitrophenyl)hydrazinylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1015 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10878 172.0
[M+Na]+ 313.09072 177.2
[M-H]- 289.09422 175.3
[M+NH4]+ 308.13532 184.2
[M+K]+ 329.06466 172.7
[M+H-H2O]+ 273.09876 161.6
[M+HCOO]- 335.09970 193.1
[M+CH3COO]- 349.11535 212.6
[M+Na-2H]- 311.07617 174.6
[M]+ 290.10095 166.3
[M]- 290.10205 166.3
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.