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]+ 266.041636 154.6
[M+Na]+ 288.023578 172.0
[M-H]- 264.027084 159.2
[M+NH4]+ 283.068183 175.9
[M+K]+ 303.997518 166.6
[M+H-H2O]+ 248.031620 150.6
[M+HCOO]- 310.032561 169.1
[M+CH3COO]- 324.048211 169.3
[M+Na-2H]- 286.009026 155.5
[M]+ 265.03381142 165.6
[M]- 265.03490858 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.