CID 413215

C.i. acid red 135

Structural Information

Molecular Formula
C18H16N2O4S
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O)C
InChI
InChI=1S/C18H16N2O4S/c1-11-7-8-15(12(2)9-11)19-20-16-10-17(25(22,23)24)13-5-3-4-6-14(13)18(16)21/h3-10,21H,1-2H3,(H,22,23,24)
InChIKey
MEOMZKXAWZYXEX-UHFFFAOYSA-N
Compound name
3-[(2,4-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.08307 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.090346 179.8
[M+Na]+ 379.072288 189.3
[M-H]- 355.075794 188.2
[M+NH4]+ 374.116893 193.8
[M+K]+ 395.046228 184.4
[M+H-H2O]+ 339.080330 171.8
[M+HCOO]- 401.081271 199.0
[M+CH3COO]- 415.096921 217.5
[M+Na-2H]- 377.057736 185.5
[M]+ 356.08252142 184.8
[M]- 356.08361858 184.8
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.