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 206.0
[M+Na]+ 472.11239 216.9
[M-H]- 448.11589 214.9
[M+NH4]+ 467.15699 216.5
[M+K]+ 488.08633 208.1
[M+H-H2O]+ 432.12043 197.5
[M+HCOO]- 494.12137 218.2
[M+CH3COO]- 508.13702 215.4
[M+Na-2H]- 470.09784 204.7
[M]+ 449.12262 213.7
[M]- 449.12372 213.7
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.