CID 10423642

10h-(1)benzothieno(2,3-d)(1,3,4)thiadiazolo(3,2-a)pyrimidin-10-one, 6,7,8,9-tetrahydro-2-methyl-

Structural Information

Molecular Formula
C12H11N3OS2
SMILES
CC1=NN2C(=O)C3=C(N=C2S1)SC4=C3CCCC4
InChI
InChI=1S/C12H11N3OS2/c1-6-14-15-11(16)9-7-4-2-3-5-8(7)18-10(9)13-12(15)17-6/h2-5H2,1H3
InChIKey
HSNPGLNMBJOWJL-UHFFFAOYSA-N
Compound name
13-methyl-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.03436 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04164 157.1
[M+Na]+ 300.02358 171.7
[M+NH4]+ 295.06818 167.3
[M+K]+ 315.99752 163.7
[M-H]- 276.02708 159.7
[M+Na-2H]- 298.00903 161.1
[M]+ 277.03381 161.0
[M]- 277.03491 161.0
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.