CID 459844

4-dimethylamino-3-(p-sulfophenylazo)benzoic acid

Structural Information

Molecular Formula
C15H15N3O5S
SMILES
CN(C)C1=C(C=C(C=C1)C(=O)O)N=NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C15H15N3O5S/c1-18(2)14-8-3-10(15(19)20)9-13(14)17-16-11-4-6-12(7-5-11)24(21,22)23/h3-9H,1-2H3,(H,19,20)(H,21,22,23)
InChIKey
GUNGEYAPUYKKLU-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-[(4-sulfophenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.07324 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.08052 176.4
[M+Na]+ 372.06246 182.8
[M-H]- 348.06596 184.8
[M+NH4]+ 367.10706 189.1
[M+K]+ 388.03640 180.8
[M+H-H2O]+ 332.07050 167.7
[M+HCOO]- 394.07144 197.5
[M+CH3COO]- 408.08709 219.0
[M+Na-2H]- 370.04791 180.4
[M]+ 349.07269 181.1
[M]- 349.07379 181.1
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.