CID 9579421

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

Structural Information

Molecular Formula
C16H11N3O3S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1/N=C/C4=CC=CO4
InChI
InChI=1S/C16H11N3O3S/c1-10-18-15-14(12(9-23-15)13-5-3-7-22-13)16(20)19(10)17-8-11-4-2-6-21-11/h2-9H,1H3/b17-8+
InChIKey
LOIZVTRDPUPNAM-CAOOACKPSA-N
Compound name
5-(furan-2-yl)-3-[(E)-furan-2-ylmethylideneamino]-2-methylthieno[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.05212 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.05940 172.1
[M+Na]+ 348.04134 187.2
[M-H]- 324.04484 186.5
[M+NH4]+ 343.08594 189.3
[M+K]+ 364.01528 185.2
[M+H-H2O]+ 308.04938 166.9
[M+HCOO]- 370.05032 196.9
[M+CH3COO]- 384.06597 187.5
[M+Na-2H]- 346.02679 173.8
[M]+ 325.05157 184.0
[M]- 325.05267 184.0
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.