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]+ 263.13902 161.0
[M+Na]+ 285.12096 166.9
[M-H]- 261.12446 166.0
[M+NH4]+ 280.16556 177.9
[M+K]+ 301.09490 166.1
[M+H-H2O]+ 245.12900 153.7
[M+HCOO]- 307.12994 185.7
[M+CH3COO]- 321.14559 205.4
[M+Na-2H]- 283.10641 162.5
[M]+ 262.13119 163.9
[M]- 262.13229 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.