CID 9574259

4etophcon2 4oxo

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CCOC1=CC=C(C=C1)C(=O)N/N=C(/C)\CCC(=O)O
InChI
InChI=1S/C14H18N2O4/c1-3-20-12-7-5-11(6-8-12)14(19)16-15-10(2)4-9-13(17)18/h5-8H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)/b15-10-
InChIKey
LXCDDUQXDGXXTC-GDNBJRDFSA-N
Compound name
(4Z)-4-[(4-ethoxybenzoyl)hydrazinylidene]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 164.3
[M+Na]+ 301.11587 168.6
[M-H]- 277.11937 167.4
[M+NH4]+ 296.16047 179.3
[M+K]+ 317.08981 167.5
[M+H-H2O]+ 261.12391 156.7
[M+HCOO]- 323.12485 187.7
[M+CH3COO]- 337.14050 204.5
[M+Na-2H]- 299.10132 166.1
[M]+ 278.12610 166.4
[M]- 278.12720 166.4
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.