CID 3076369

130921-56-1

Structural Information

Molecular Formula
C15H24N3OS2
SMILES
CCN1C(=O)C2=C(N=C1SCC[N+](C)(C)C)SC(=C2C)C
InChI
InChI=1S/C15H24N3OS2/c1-7-17-14(19)12-10(2)11(3)21-13(12)16-15(17)20-9-8-18(4,5)6/h7-9H2,1-6H3/q+1
InChIKey
YZIIWIUJDGWRKM-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13608 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14336 169.5
[M+Na]+ 349.12530 181.1
[M-H]- 325.12880 174.0
[M+NH4]+ 344.16990 186.5
[M+K]+ 365.09924 170.3
[M+H-H2O]+ 309.13334 165.9
[M+HCOO]- 371.13428 181.6
[M+CH3COO]- 385.14993 207.8
[M+Na-2H]- 347.11075 172.6
[M]+ 326.13553 177.5
[M]- 326.13663 177.5
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.