CID 76746

Scarlet gn

Structural Information

Molecular Formula
C18H16N2O7S2
SMILES
CC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2=C(C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)O)C
InChI
InChI=1S/C18H16N2O7S2/c1-10-8-11(2)17(16(9-10)29(25,26)27)20-19-14-7-6-12-13(18(14)21)4-3-5-15(12)28(22,23)24/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)
InChIKey
BDUVDVIOZOTUGM-UHFFFAOYSA-N
Compound name
6-[(2,4-dimethyl-6-sulfophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

247
Patents

436.0399 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

patents stripe