CID 2048237

482660-87-7

Structural Information

Molecular Formula
C20H23N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC=C3C)C)SC(=C2C)C
InChI
InChI=1S/C20H23N3O2S2/c1-6-23-19(25)16-13(4)14(5)27-18(16)22-20(23)26-10-15(24)21-17-11(2)8-7-9-12(17)3/h7-9H,6,10H2,1-5H3,(H,21,24)
InChIKey
KKHIVMHYHGMSCM-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.12317 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13045 196.5
[M+Na]+ 424.11239 210.2
[M+NH4]+ 419.15699 203.6
[M+K]+ 440.08633 200.5
[M-H]- 400.11589 200.4
[M+Na-2H]- 422.09784 201.1
[M]+ 401.12262 200.6
[M]- 401.12372 200.6
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.