CID 1891478

618427-64-8

Structural Information

Molecular Formula
C20H23N3O3S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3OCC)SC(=C2C)C
InChI
InChI=1S/C20H23N3O3S2/c1-5-23-19(25)17-12(3)13(4)28-18(17)22-20(23)27-11-16(24)21-14-9-7-8-10-15(14)26-6-2/h7-10H,5-6,11H2,1-4H3,(H,21,24)
InChIKey
HMMOBEBPPRVFBZ-UHFFFAOYSA-N
Compound name
N-(2-ethoxyphenyl)-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

417.11807 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12535 196.3
[M+Na]+ 440.10729 207.0
[M-H]- 416.11079 202.1
[M+NH4]+ 435.15189 208.3
[M+K]+ 456.08123 199.8
[M+H-H2O]+ 400.11533 188.7
[M+HCOO]- 462.11627 208.3
[M+CH3COO]- 476.13192 226.8
[M+Na-2H]- 438.09274 194.6
[M]+ 417.11752 206.4
[M]- 417.11862 206.4
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.