CID 511723

647026-36-6

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
COC1=CC=CC(=C1O)C=NC2=NSC3=CC=CC=C32
InChI
InChI=1S/C15H12N2O2S/c1-19-12-7-4-5-10(14(12)18)9-16-15-11-6-2-3-8-13(11)20-17-15/h2-9,18H,1H3
InChIKey
VHVPTQFEHXIWHV-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yliminomethyl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.06195 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06923 161.5
[M+Na]+ 307.05117 172.8
[M-H]- 283.05467 169.3
[M+NH4]+ 302.09577 179.7
[M+K]+ 323.02511 167.5
[M+H-H2O]+ 267.05921 154.2
[M+HCOO]- 329.06015 183.1
[M+CH3COO]- 343.07580 174.8
[M+Na-2H]- 305.03662 166.2
[M]+ 284.06140 167.5
[M]- 284.06250 167.5
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

No patent data available for this compound.