CID 5678845

2-sulfanyl-7-(thiophen-2-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-ol

Structural Information

Molecular Formula
C12H6F3N3OS2
SMILES
C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C(=O)NC(=S)N3
InChI
InChI=1S/C12H6F3N3OS2/c13-12(14,15)5-4-6(7-2-1-3-21-7)16-9-8(5)10(19)18-11(20)17-9/h1-4H,(H2,16,17,18,19,20)
InChIKey
RDOYIIXOUOZADA-UHFFFAOYSA-N
Compound name
2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

328.99045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.99773 167.0
[M+Na]+ 351.97967 177.6
[M+NH4]+ 347.02427 171.9
[M+K]+ 367.95361 170.5
[M-H]- 327.98317 164.4
[M+Na-2H]- 349.96512 170.6
[M]+ 328.98990 168.3
[M]- 328.99100 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.