CID 9579418

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

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
C/C=N/N1C(=NC2=C(C1=O)C(=CS2)C3=CC=CO3)C
InChI
InChI=1S/C13H11N3O2S/c1-3-14-16-8(2)15-12-11(13(16)17)9(7-19-12)10-5-4-6-18-10/h3-7H,1-2H3/b14-3+
InChIKey
GHWZTBWBJLITPK-LZWSPWQCSA-N
Compound name
3-[(E)-ethylideneamino]-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

273.0572 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06448 159.3
[M+Na]+ 296.04642 173.4
[M-H]- 272.04992 168.9
[M+NH4]+ 291.09102 178.4
[M+K]+ 312.02036 170.2
[M+H-H2O]+ 256.05446 153.0
[M+HCOO]- 318.05540 182.0
[M+CH3COO]- 332.07105 174.3
[M+Na-2H]- 294.03187 162.0
[M]+ 273.05665 168.3
[M]- 273.05775 168.3
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.