CID 1973565

577998-00-6

Structural Information

Molecular Formula
C24H23N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4)SC(=C2C)C
InChI
InChI=1S/C24H23N3O2S2/c1-4-27-23(29)21-15(2)16(3)31-22(21)26-24(27)30-14-20(28)25-19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13H,4,14H2,1-3H3,(H,25,28)
InChIKey
XYISGVQFIVCQMZ-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.12317 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.13045 204.6
[M+Na]+ 472.11239 220.2
[M+NH4]+ 467.15699 212.3
[M+K]+ 488.08633 209.1
[M-H]- 448.11589 211.2
[M+Na-2H]- 470.09784 212.9
[M]+ 449.12262 209.8
[M]- 449.12372 209.8
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.