CID 111804

Ponceau mx

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

13
References

6394
Patents

436.0399 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.04718 196.9
[M+Na]+ 459.02912 207.1
[M+NH4]+ 454.07372 201.1
[M+K]+ 475.00306 200.2
[M-H]- 435.03262 198.4
[M+Na-2H]- 457.01457 202.0
[M]+ 436.03935 199.5
[M]- 436.04045 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe