CID 178244177

2,3-dimethyl-5-phenyldiazenylhexa-2,4-dienedioic acid

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CC(=C(C)C(=O)O)C=C(C(=O)O)N=NC1=CC=CC=C1
InChI
InChI=1S/C14H14N2O4/c1-9(10(2)13(17)18)8-12(14(19)20)16-15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKey
HLBJDPDQYRQZDU-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-phenyldiazenylhexa-2,4-dienedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 162.6
[M+Na]+ 297.084588 166.2
[M-H]- 273.088094 165.6
[M+NH4]+ 292.129193 177.2
[M+K]+ 313.058528 164.9
[M+H-H2O]+ 257.092630 155.3
[M+HCOO]- 319.093571 184.4
[M+CH3COO]- 333.109221 202.9
[M+Na-2H]- 295.070036 162.7
[M]+ 274.09482142 161.6
[M]- 274.09591858 161.6
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.