CID 3451450

618427-60-4

Structural Information

Molecular Formula
C25H23N3O4S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C4C5=CC=CC=C5OC4=C3)OC)SC(=C2C)C
InChI
InChI=1S/C25H23N3O4S2/c1-5-28-24(30)22-13(2)14(3)34-23(22)27-25(28)33-12-21(29)26-17-11-19-16(10-20(17)31-4)15-8-6-7-9-18(15)32-19/h6-11H,5,12H2,1-4H3,(H,26,29)
InChIKey
KWYKXTHFRZFFIH-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.113 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.12028 217.5
[M+Na]+ 516.10222 232.8
[M+NH4]+ 511.14682 224.7
[M+K]+ 532.07616 224.5
[M-H]- 492.10572 223.4
[M+Na-2H]- 514.08767 221.4
[M]+ 493.11245 222.5
[M]- 493.11355 222.5
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.