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 169.9
[M+Na]+ 405.96202 184.5
[M-H]- 381.96552 181.9
[M+NH4]+ 401.00662 189.1
[M+K]+ 421.93596 171.4
[M+H-H2O]+ 365.97006 168.6
[M+HCOO]- 427.97100 190.4
[M+CH3COO]- 441.98665 184.7
[M+Na-2H]- 403.94747 178.5
[M]+ 382.97225 193.7
[M]- 382.97335 193.7
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.