CID 106584

68109-68-2

Structural Information

Molecular Formula
C17H15N3O6S2
SMILES
CC1=C(C=CC(=C1)N)N=NC2=CC=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C17H15N3O6S2/c1-10-7-12(18)5-6-14(10)19-20-15-4-2-3-11-8-13(27(21,22)23)9-16(17(11)15)28(24,25)26/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)
InChIKey
AYPOCURLWDONBR-UHFFFAOYSA-N
Compound name
8-[(4-amino-2-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.04022 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.04750 191.9
[M+Na]+ 444.02944 201.5
[M+NH4]+ 439.07404 196.5
[M+K]+ 460.00338 194.4
[M-H]- 420.03294 194.3
[M+Na-2H]- 442.01489 197.8
[M]+ 421.03967 194.6
[M]- 421.04077 194.6
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.