CID 136736083

4-[(2,6-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid

Structural Information

Molecular Formula
C18H16N2O7S2
SMILES
CC1=C(C(=CC=C1)C)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C18H16N2O7S2/c1-10-4-3-5-11(2)16(10)19-20-17-14-7-6-13(28(22,23)24)8-12(14)9-15(18(17)21)29(25,26)27/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)
InChIKey
WIHHAZCAEHIZQD-UHFFFAOYSA-N
Compound name
4-[(2,6-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.0399 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.047176 195.6
[M+Na]+ 459.029118 203.6
[M-H]- 435.032624 201.4
[M+NH4]+ 454.073723 205.0
[M+K]+ 475.003058 198.4
[M+H-H2O]+ 419.037160 187.9
[M+HCOO]- 481.038101 206.6
[M+CH3COO]- 495.053751 226.9
[M+Na-2H]- 457.014566 202.3
[M]+ 436.03935142 201.9
[M]- 436.04044858 201.9
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.