CID 76384

2-naphthalenol, 1-(2-(2-benzothiazolyl)diazenyl)-

Structural Information

Molecular Formula
C17H11N3OS
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC4=CC=CC=C4S3)O
InChI
InChI=1S/C17H11N3OS/c21-14-10-9-11-5-1-2-6-12(11)16(14)19-20-17-18-13-7-3-4-8-15(13)22-17/h1-10,21H
InChIKey
NXFVJTJWPUVTKK-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yldiazenyl)naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

305.0623 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06958 164.6
[M+Na]+ 328.05152 176.2
[M-H]- 304.05502 174.4
[M+NH4]+ 323.09612 183.1
[M+K]+ 344.02546 170.1
[M+H-H2O]+ 288.05956 156.7
[M+HCOO]- 350.06050 187.6
[M+CH3COO]- 364.07615 178.0
[M+Na-2H]- 326.03697 172.7
[M]+ 305.06175 170.0
[M]- 305.06285 170.0
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