CID 512195

4-fluoro-n-[5-(2-furyl)-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]benzamide

Structural Information

Molecular Formula
C18H12FN3O3S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H12FN3O3S/c1-10-20-17-15(13(9-26-17)14-3-2-8-25-14)18(24)22(10)21-16(23)11-4-6-12(19)7-5-11/h2-9H,1H3,(H,21,23)
InChIKey
PQXDAEJHGNLEAP-UHFFFAOYSA-N
Compound name
4-fluoro-N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.05835 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.06563 182.7
[M+Na]+ 392.04757 195.6
[M-H]- 368.05107 193.0
[M+NH4]+ 387.09217 196.6
[M+K]+ 408.02151 190.8
[M+H-H2O]+ 352.05561 174.8
[M+HCOO]- 414.05655 201.7
[M+CH3COO]- 428.07220 195.1
[M+Na-2H]- 390.03302 182.8
[M]+ 369.05780 189.4
[M]- 369.05890 189.4
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.