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 156.3
[M+Na]+ 300.02358 172.0
[M-H]- 276.02708 160.8
[M+NH4]+ 295.06818 177.5
[M+K]+ 315.99752 166.5
[M+H-H2O]+ 260.03162 152.2
[M+HCOO]- 322.03256 168.0
[M+CH3COO]- 336.04821 169.9
[M+Na-2H]- 298.00903 158.8
[M]+ 277.03381 163.8
[M]- 277.03491 163.8
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.