CID 3074592

1h-thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl-

Structural Information

Molecular Formula
C14H10N2OS2
SMILES
CC1=C(SC2=C1C(=O)N3C4=CC=CC=C4SC3=N2)C
InChI
InChI=1S/C14H10N2OS2/c1-7-8(2)18-12-11(7)13(17)16-9-5-3-4-6-10(9)19-14(16)15-12/h3-6H,1-2H3
InChIKey
NAYLUEQDYIVUPT-UHFFFAOYSA-N
Compound name
13,14-dimethyl-8,12-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaen-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.02347 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03075 160.3
[M+Na]+ 309.01269 177.8
[M-H]- 285.01619 167.0
[M+NH4]+ 304.05729 182.9
[M+K]+ 324.98663 171.6
[M+H-H2O]+ 269.02073 156.7
[M+HCOO]- 331.02167 175.2
[M+CH3COO]- 345.03732 175.1
[M+Na-2H]- 306.99814 163.2
[M]+ 286.02292 171.1
[M]- 286.02402 171.1
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.