CID 3078895

Brn 4196852

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C16H14N2O2S/c1-9-7-12-14(8-10(9)2)21-16(17-12)18-15(20)11-5-3-4-6-13(11)19/h3-8,19H,1-2H3,(H,17,18,20)
InChIKey
NYYMIIUAKQPPFT-UHFFFAOYSA-N
Compound name
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0776 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08488 166.4
[M+Na]+ 321.06682 177.2
[M-H]- 297.07032 173.1
[M+NH4]+ 316.11142 183.5
[M+K]+ 337.04076 171.4
[M+H-H2O]+ 281.07486 159.7
[M+HCOO]- 343.07580 185.0
[M+CH3COO]- 357.09145 178.8
[M+Na-2H]- 319.05227 168.6
[M]+ 298.07705 170.9
[M]- 298.07815 170.9
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.