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
2
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]+ 422.047496 192.2
[M+Na]+ 444.029438 200.0
[M-H]- 420.032944 198.6
[M+NH4]+ 439.074043 202.2
[M+K]+ 460.003378 194.4
[M+H-H2O]+ 404.037480 184.1
[M+HCOO]- 466.038421 205.2
[M+CH3COO]- 480.054071 227.3
[M+Na-2H]- 442.014886 199.7
[M]+ 421.03967142 196.4
[M]- 421.04076858 196.4
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.