CID 3078216

Brn 5994799

Structural Information

Molecular Formula
C19H11F3N2OS
SMILES
C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C19H11F3N2OS/c20-19(21,22)13-8-4-7-12(9-13)16-23-17(25)15-14(10-26-18(15)24-16)11-5-2-1-3-6-11/h1-10H,(H,23,24,25)
InChIKey
CXXFNAPWPTWHDK-UHFFFAOYSA-N
Compound name
5-phenyl-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.0544 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.06168 182.5
[M+Na]+ 395.04362 195.3
[M-H]- 371.04712 187.0
[M+NH4]+ 390.08822 195.0
[M+K]+ 411.01756 186.1
[M+H-H2O]+ 355.05166 171.7
[M+HCOO]- 417.05260 195.2
[M+CH3COO]- 431.06825 192.8
[M+Na-2H]- 393.02907 184.5
[M]+ 372.05385 182.3
[M]- 372.05495 182.3
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.