CID 2001760

618427-55-7

Structural Information

Molecular Formula
C20H23N3O3S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=CC(=C3)C)OC)SC(=C2C)C
InChI
InChI=1S/C20H23N3O3S2/c1-6-23-19(25)17-12(3)13(4)28-18(17)22-20(23)27-10-16(24)21-14-9-11(2)7-8-15(14)26-5/h7-9H,6,10H2,1-5H3,(H,21,24)
InChIKey
CZFIRLVIRRFGLE-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
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 196.4
[M+Na]+ 440.10729 207.8
[M-H]- 416.11079 202.6
[M+NH4]+ 435.15189 208.7
[M+K]+ 456.08123 200.7
[M+H-H2O]+ 400.11533 189.1
[M+HCOO]- 462.11627 208.4
[M+CH3COO]- 476.13192 228.1
[M+Na-2H]- 438.09274 194.1
[M]+ 417.11752 207.0
[M]- 417.11862 207.0
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.