CID 135448447

20954-34-1

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCOC(=O)/C(=C(\C)/O)/N=NC1=C(C=C(C=C1)C)C
InChI
InChI=1S/C14H18N2O3/c1-5-19-14(18)13(11(4)17)16-15-12-7-6-9(2)8-10(12)3/h6-8,17H,5H2,1-4H3/b13-11-,16-15?
InChIKey
KBOWWKGCLYPQRL-OQJZYDBASA-N
Compound name
ethyl (Z)-2-[(2,4-dimethylphenyl)diazenyl]-3-hydroxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 161.0
[M+Na]+ 285.120958 166.9
[M-H]- 261.124464 166.0
[M+NH4]+ 280.165563 177.9
[M+K]+ 301.094898 166.1
[M+H-H2O]+ 245.129000 153.7
[M+HCOO]- 307.129941 185.7
[M+CH3COO]- 321.145591 205.4
[M+Na-2H]- 283.106406 162.5
[M]+ 262.13119142 163.9
[M]- 262.13228858 163.9
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.