CID 77112

3566-95-8

Structural Information

Molecular Formula
C17H10BrN3OS
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC4=C(S3)C=C(C=C4)Br)O
InChI
InChI=1S/C17H10BrN3OS/c18-11-6-7-13-15(9-11)23-17(19-13)21-20-16-12-4-2-1-3-10(12)5-8-14(16)22/h1-9,22H
InChIKey
WALUZLUKHAIPEB-UHFFFAOYSA-N
Compound name
1-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.9728 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.98008 167.9
[M+Na]+ 405.96202 174.3
[M+NH4]+ 401.00662 174.3
[M+K]+ 421.93596 171.6
[M-H]- 381.96552 172.9
[M+Na-2H]- 403.94747 174.5
[M]+ 382.97225 169.7
[M]- 382.97335 169.7
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.