CID 6481022

Akos008980781

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
CC1=CC(=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C15H12N2O2S/c1-9-6-7-10(12(18)8-9)14(19)17-15-16-11-4-2-3-5-13(11)20-15/h2-8,18H,1H3,(H,16,17,19)
InChIKey
VWGNFACZXNYVII-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-2-hydroxy-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.06195 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06923 161.7
[M+Na]+ 307.05117 172.1
[M-H]- 283.05467 168.1
[M+NH4]+ 302.09577 179.1
[M+K]+ 323.02511 166.5
[M+H-H2O]+ 267.05921 155.0
[M+HCOO]- 329.06015 180.7
[M+CH3COO]- 343.07580 174.2
[M+Na-2H]- 305.03662 165.1
[M]+ 284.06140 165.4
[M]- 284.06250 165.4
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

No patent data available for this compound.