CID 9570646

Cyanoglyoxylic acid pentyl ester 2-(m-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C14H16N4O4
SMILES
CCCCCOC(=O)/C(=N/NC1=CC(=CC=C1)[N+](=O)[O-])/C#N
InChI
InChI=1S/C14H16N4O4/c1-2-3-4-8-22-14(19)13(10-15)17-16-11-6-5-7-12(9-11)18(20)21/h5-7,9,16H,2-4,8H2,1H3/b17-13+
InChIKey
YVXMQMUNYBPLDK-GHRIWEEISA-N
Compound name
pentyl (2E)-2-cyano-2-[(3-nitrophenyl)hydrazinylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.11716 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 175.0
[M+Na]+ 327.10638 180.1
[M-H]- 303.10988 178.1
[M+NH4]+ 322.15098 186.9
[M+K]+ 343.08032 174.8
[M+H-H2O]+ 287.11442 164.3
[M+HCOO]- 349.11536 196.7
[M+CH3COO]- 363.13101 214.6
[M+Na-2H]- 325.09183 178.3
[M]+ 304.11661 170.3
[M]- 304.11771 170.3
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.