CID 9570647

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

Structural Information

Molecular Formula
C14H16N4O4
SMILES
CCCCCOC(=O)/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/C#N
InChI
InChI=1S/C14H16N4O4/c1-2-3-4-9-22-14(19)13(10-15)17-16-11-5-7-12(8-6-11)18(20)21/h5-8,16H,2-4,9H2,1H3/b17-13+
InChIKey
GSDASBYACNZRRY-GHRIWEEISA-N
Compound name
pentyl (2E)-2-cyano-2-[(4-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 172.1
[M+Na]+ 327.10638 180.6
[M+NH4]+ 322.15098 173.9
[M+K]+ 343.08032 174.7
[M-H]- 303.10988 167.1
[M+Na-2H]- 325.09183 173.1
[M]+ 304.11661 170.5
[M]- 304.11771 170.5
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.