CID 8892653

875286-88-7

Structural Information

Molecular Formula
C15H14N2OS2
SMILES
CC1=C(SC=C1)C(=O)NC2=NC3=C(C=C(C=C3S2)C)C
InChI
InChI=1S/C15H14N2OS2/c1-8-6-10(3)12-11(7-8)20-15(16-12)17-14(18)13-9(2)4-5-19-13/h4-7H,1-3H3,(H,16,17,18)
InChIKey
GSHQRYRMPNCEPF-UHFFFAOYSA-N
Compound name
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

302.05475 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06203 167.6
[M+Na]+ 325.04397 180.0
[M-H]- 301.04747 175.9
[M+NH4]+ 320.08857 187.7
[M+K]+ 341.01791 174.3
[M+H-H2O]+ 285.05201 162.6
[M+HCOO]- 347.05295 183.3
[M+CH3COO]- 361.06860 180.8
[M+Na-2H]- 323.02942 166.3
[M]+ 302.05420 174.5
[M]- 302.05530 174.5
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

patents stripe