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 164.0
[M+Na]+ 351.97967 178.5
[M-H]- 327.98317 162.9
[M+NH4]+ 347.02427 177.2
[M+K]+ 367.95361 168.6
[M+H-H2O]+ 311.98771 155.9
[M+HCOO]- 373.98865 170.0
[M+CH3COO]- 388.00430 174.3
[M+Na-2H]- 349.96512 165.1
[M]+ 328.98990 163.1
[M]- 328.99100 163.1
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.