CID 170905257

18794-96-2

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CCOC1=CC=C(C=C1)N=N/C(=C(\C)/O)/C(=O)OCC
InChI
InChI=1S/C14H18N2O4/c1-4-19-12-8-6-11(7-9-12)15-16-13(10(3)17)14(18)20-5-2/h6-9,17H,4-5H2,1-3H3/b13-10+,16-15?
InChIKey
JGTCKRVLHMVIFK-UCCKDXPQSA-N
Compound name
ethyl (E)-2-[(4-ethoxyphenyl)diazenyl]-3-hydroxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 164.2
[M+Na]+ 301.11587 169.1
[M-H]- 277.11937 168.8
[M+NH4]+ 296.16047 180.1
[M+K]+ 317.08981 168.8
[M+H-H2O]+ 261.12391 156.4
[M+HCOO]- 323.12485 189.2
[M+CH3COO]- 337.14050 206.3
[M+Na-2H]- 299.10132 166.5
[M]+ 278.12610 168.2
[M]- 278.12720 168.2
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.