CID 512196

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

Structural Information

Molecular Formula
C18H11F2N3O3S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C18H11F2N3O3S/c1-9-21-17-15(12(8-27-17)14-3-2-6-26-14)18(25)23(9)22-16(24)11-5-4-10(19)7-13(11)20/h2-8H,1H3,(H,22,24)
InChIKey
PUFGHPRHZVNHRS-UHFFFAOYSA-N
Compound name
2,4-difluoro-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

387.04892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05620 185.6
[M+Na]+ 410.03814 199.3
[M-H]- 386.04164 194.8
[M+NH4]+ 405.08274 198.9
[M+K]+ 426.01208 194.0
[M+H-H2O]+ 370.04618 176.9
[M+HCOO]- 432.04712 203.5
[M+CH3COO]- 446.06277 197.7
[M+Na-2H]- 408.02359 184.5
[M]+ 387.04837 191.9
[M]- 387.04947 191.9
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.