CID 1981805

578750-65-9

Structural Information

Molecular Formula
C20H23N3O4S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)OC)OC)SC(=C2C)C
InChI
InChI=1S/C20H23N3O4S2/c1-6-23-19(25)17-11(2)12(3)29-18(17)22-20(23)28-10-16(24)21-13-7-8-14(26-4)15(9-13)27-5/h7-9H,6,10H2,1-5H3,(H,21,24)
InChIKey
LGQGDAZZCKRKKT-UHFFFAOYSA-N
Compound name
N-(3,4-dimethoxyphenyl)-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

433.113 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.12028 199.6
[M+Na]+ 456.10222 210.5
[M-H]- 432.10572 205.6
[M+NH4]+ 451.14682 211.0
[M+K]+ 472.07616 204.1
[M+H-H2O]+ 416.11026 192.0
[M+HCOO]- 478.11120 211.7
[M+CH3COO]- 492.12685 230.2
[M+Na-2H]- 454.08767 197.6
[M]+ 433.11245 211.4
[M]- 433.11355 211.4
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.