CID 160826

83006-50-2

Structural Information

Molecular Formula
C20H14N2O3S
SMILES
C1=CC=C2C(=C1)C=CC=C2N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O
InChI
InChI=1S/C20H14N2O3S/c23-26(24,25)18-11-9-15-12-17(10-8-16(15)13-18)21-22-20-7-3-5-14-4-1-2-6-19(14)20/h1-13H,(H,23,24,25)
InChIKey
MSUYHGURZDLSGY-UHFFFAOYSA-N
Compound name
6-(naphthalen-1-yldiazenyl)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.0725 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07978 180.5
[M+Na]+ 385.06172 190.5
[M-H]- 361.06522 190.7
[M+NH4]+ 380.10632 195.3
[M+K]+ 401.03566 184.7
[M+H-H2O]+ 345.06976 171.6
[M+HCOO]- 407.07070 201.5
[M+CH3COO]- 421.08635 192.3
[M+Na-2H]- 383.04717 191.0
[M]+ 362.07195 185.8
[M]- 362.07305 185.8
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.