CID 364781

Nsc631540

Structural Information

Molecular Formula
C17H16N2OS
SMILES
CC1=C(C(=CC=C1)NC(=O)CC2=NC3=CC=CC=C3S2)C
InChI
InChI=1S/C17H16N2OS/c1-11-6-5-8-13(12(11)2)18-16(20)10-17-19-14-7-3-4-9-15(14)21-17/h3-9H,10H2,1-2H3,(H,18,20)
InChIKey
ULYUOYZCKYRSSQ-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09833 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 167.6
[M+Na]+ 319.08755 177.8
[M-H]- 295.09105 175.1
[M+NH4]+ 314.13215 185.3
[M+K]+ 335.06149 172.0
[M+H-H2O]+ 279.09559 160.3
[M+HCOO]- 341.09653 187.2
[M+CH3COO]- 355.11218 180.1
[M+Na-2H]- 317.07300 170.1
[M]+ 296.09778 172.4
[M]- 296.09888 172.4
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.