CID 1938285

577980-73-5

Structural Information

Molecular Formula
C19H20FN3O2S2
SMILES
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)C)F)SC(=C2C)C
InChI
InChI=1S/C19H20FN3O2S2/c1-5-23-18(25)16-11(3)12(4)27-17(16)22-19(23)26-9-15(24)21-13-7-6-10(2)14(20)8-13/h6-8H,5,9H2,1-4H3,(H,21,24)
InChIKey
QNDXZIIDTROIAA-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.09808 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.10536 190.9
[M+Na]+ 428.08730 203.2
[M-H]- 404.09080 195.9
[M+NH4]+ 423.13190 203.8
[M+K]+ 444.06124 195.2
[M+H-H2O]+ 388.09534 182.9
[M+HCOO]- 450.09628 202.0
[M+CH3COO]- 464.11193 225.6
[M+Na-2H]- 426.07275 188.2
[M]+ 405.09753 199.0
[M]- 405.09863 199.0
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.