CID 1993560

578734-84-6

Structural Information

Molecular Formula
C24H23N3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC4=CC=CC=C43)SC5=C2CCCC5
InChI
InChI=1S/C24H23N3O2S2/c1-2-27-23(29)21-17-11-5-6-13-19(17)31-22(21)26-24(27)30-14-20(28)25-18-12-7-9-15-8-3-4-10-16(15)18/h3-4,7-10,12H,2,5-6,11,13-14H2,1H3,(H,25,28)
InChIKey
XDFAIGXMKFNUHU-UHFFFAOYSA-N
Compound name
2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.12317 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.13045 199.0
[M+Na]+ 472.11239 213.5
[M+NH4]+ 467.15699 208.0
[M+K]+ 488.08633 202.3
[M-H]- 448.11589 204.6
[M+Na-2H]- 470.09784 205.3
[M]+ 449.12262 203.8
[M]- 449.12372 203.8
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.