CID 9579410

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

Structural Information

Molecular Formula
C18H13N3O2S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1/N=C/C4=CC=CC=C4
InChI
InChI=1S/C18H13N3O2S/c1-12-20-17-16(14(11-24-17)15-8-5-9-23-15)18(22)21(12)19-10-13-6-3-2-4-7-13/h2-11H,1H3/b19-10+
InChIKey
QWTNHPWDPDPMMX-VXLYETTFSA-N
Compound name
3-[(E)-benzylideneamino]-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

335.07285 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08013 176.8
[M+Na]+ 358.06207 190.2
[M-H]- 334.06557 189.3
[M+NH4]+ 353.10667 192.8
[M+K]+ 374.03601 185.4
[M+H-H2O]+ 318.07011 169.2
[M+HCOO]- 380.07105 199.3
[M+CH3COO]- 394.08670 190.6
[M+Na-2H]- 356.04752 179.1
[M]+ 335.07230 184.9
[M]- 335.07340 184.9
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.