CID 24846648

8h-(1,3,4)thiadiazolo(3,2-a)thieno(2,3-d)pyrimidin-8-one, 2-ethyl-6,7-dimethyl-

Structural Information

Molecular Formula
C11H11N3OS2
SMILES
CCC1=NN2C(=O)C3=C(N=C2S1)SC(=C3C)C
InChI
InChI=1S/C11H11N3OS2/c1-4-7-13-14-10(15)8-5(2)6(3)16-9(8)12-11(14)17-7/h4H2,1-3H3
InChIKey
VAYPDIDTTJYRQE-UHFFFAOYSA-N
Compound name
11-ethyl-4,5-dimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.03436 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04164 154.6
[M+Na]+ 288.02358 172.0
[M-H]- 264.02708 159.2
[M+NH4]+ 283.06818 175.9
[M+K]+ 303.99752 166.6
[M+H-H2O]+ 248.03162 150.6
[M+HCOO]- 310.03256 169.1
[M+CH3COO]- 324.04821 169.3
[M+Na-2H]- 286.00903 155.5
[M]+ 265.03381 165.6
[M]- 265.03491 165.6
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.