CID 1865671

618427-68-2

Structural Information

Molecular Formula
C19H21N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C)SC(=C2C)C
InChI
InChI=1S/C19H21N3O2S2/c1-5-22-18(24)16-12(3)13(4)26-17(16)21-19(22)25-10-15(23)20-14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3,(H,20,23)
InChIKey
LYGNQBHYGWVKIX-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1075 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11478 188.8
[M+Na]+ 410.09672 200.4
[M-H]- 386.10022 194.9
[M+NH4]+ 405.14132 202.3
[M+K]+ 426.07066 192.8
[M+H-H2O]+ 370.10476 181.6
[M+HCOO]- 432.10570 201.0
[M+CH3COO]- 446.12135 221.8
[M+Na-2H]- 408.08217 187.2
[M]+ 387.10695 197.4
[M]- 387.10805 197.4
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.