CID 9579413

3-[(e)-(4-fluorophenyl)methyleneamino]-5-(2-furyl)-2-methyl-thieno[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C18H12FN3O2S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1/N=C/C4=CC=C(C=C4)F
InChI
InChI=1S/C18H12FN3O2S/c1-11-21-17-16(14(10-25-17)15-3-2-8-24-15)18(23)22(11)20-9-12-4-6-13(19)7-5-12/h2-10H,1H3/b20-9+
InChIKey
NTASEFWOYUWFBV-AWQFTUOYSA-N
Compound name
3-[(E)-(4-fluorophenyl)methylideneamino]-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.06342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07070 179.8
[M+Na]+ 376.05264 194.0
[M-H]- 352.05614 191.3
[M+NH4]+ 371.09724 195.3
[M+K]+ 392.02658 188.7
[M+H-H2O]+ 336.06068 171.5
[M+HCOO]- 398.06162 201.2
[M+CH3COO]- 412.07727 193.3
[M+Na-2H]- 374.03809 180.8
[M]+ 353.06287 187.5
[M]- 353.06397 187.5
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.