CID 9579417

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

Structural Information

Molecular Formula
C19H15N3O2S
SMILES
CC1=CC=C(C=C1)/C=N/N2C(=NC3=C(C2=O)C(=CS3)C4=CC=CO4)C
InChI
InChI=1S/C19H15N3O2S/c1-12-5-7-14(8-6-12)10-20-22-13(2)21-18-17(19(22)23)15(11-25-18)16-4-3-9-24-16/h3-11H,1-2H3/b20-10+
InChIKey
NOZUEHNOADOFNM-KEBDBYFISA-N
Compound name
5-(furan-2-yl)-2-methyl-3-[(E)-(4-methylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.0885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09578 182.0
[M+Na]+ 372.07772 195.7
[M-H]- 348.08122 194.7
[M+NH4]+ 367.12232 197.7
[M+K]+ 388.05166 190.6
[M+H-H2O]+ 332.08576 174.4
[M+HCOO]- 394.08670 204.0
[M+CH3COO]- 408.10235 195.5
[M+Na-2H]- 370.06317 183.0
[M]+ 349.08795 190.8
[M]- 349.08905 190.8
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.