CID 104463

P-((4-amino-2,5-xylyl)azo)benzenesulphonic acid

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)C)N
InChI
InChI=1S/C14H15N3O3S/c1-9-7-11(15)8-10(2)14(9)17-16-12-3-5-13(6-4-12)21(18,19)20/h3-8H,15H2,1-2H3,(H,18,19,20)
InChIKey
NYYPWMILHLXKDH-UHFFFAOYSA-N
Compound name
4-[(4-amino-2,6-dimethylphenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.0834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09068 169.0
[M+Na]+ 328.07262 180.3
[M+NH4]+ 323.11722 175.6
[M+K]+ 344.04656 173.0
[M-H]- 304.07612 173.5
[M+Na-2H]- 326.05807 176.4
[M]+ 305.08285 172.2
[M]- 305.08395 172.2
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

patents stripe