CID 93572

1147-56-4

Structural Information

Molecular Formula
C13H9N3OS
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=CS3)O
InChI
InChI=1S/C13H9N3OS/c17-11-6-5-9-3-1-2-4-10(9)12(11)15-16-13-14-7-8-18-13/h1-8,17H
InChIKey
IOMXCGDXEUDZAK-UHFFFAOYSA-N
Compound name
1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

169
Patents

255.04663 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.053906 151.7
[M+Na]+ 278.035848 162.8
[M-H]- 254.039354 160.7
[M+NH4]+ 273.080453 171.2
[M+K]+ 294.009788 158.0
[M+H-H2O]+ 238.043890 144.1
[M+HCOO]- 300.044831 176.2
[M+CH3COO]- 314.060481 165.9
[M+Na-2H]- 276.021296 159.2
[M]+ 255.04608142 156.4
[M]- 255.04717858 156.4
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