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 167.7
[M+Na]+ 328.07262 176.5
[M-H]- 304.07612 176.1
[M+NH4]+ 323.11722 182.9
[M+K]+ 344.04656 172.3
[M+H-H2O]+ 288.08066 159.5
[M+HCOO]- 350.08160 190.0
[M+CH3COO]- 364.09725 211.2
[M+Na-2H]- 326.05807 171.9
[M]+ 305.08285 170.5
[M]- 305.08395 170.5
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