CID 9570649

Cyanoglyoxylic acid propyl ester 2-m-tolylhydrazone

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CCCOC(=O)/C(=N/NC1=CC=CC(=C1)C)/C#N
InChI
InChI=1S/C13H15N3O2/c1-3-7-18-13(17)12(9-14)16-15-11-6-4-5-10(2)8-11/h4-6,8,15H,3,7H2,1-2H3/b16-12+
InChIKey
NUWUKPXPQAXRNQ-FOWTUZBSSA-N
Compound name
propyl (2E)-2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.11642 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 159.4
[M+Na]+ 268.10564 166.7
[M-H]- 244.10914 163.2
[M+NH4]+ 263.15024 174.7
[M+K]+ 284.07958 164.6
[M+H-H2O]+ 228.11368 145.4
[M+HCOO]- 290.11462 180.9
[M+CH3COO]- 304.13027 211.2
[M+Na-2H]- 266.09109 162.5
[M]+ 245.11587 155.9
[M]- 245.11697 155.9
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.