CID 9579419

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

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1/N=C/C4CC4
InChI
InChI=1S/C15H13N3O2S/c1-9-17-14-13(11(8-21-14)12-3-2-6-20-12)15(19)18(9)16-7-10-4-5-10/h2-3,6-8,10H,4-5H2,1H3/b16-7+
InChIKey
RIUCVHWUFVSESX-FRKPEAEDSA-N
Compound name
3-[(E)-cyclopropylmethylideneamino]-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

299.07285 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08013 166.4
[M+Na]+ 322.06207 181.0
[M-H]- 298.06557 178.7
[M+NH4]+ 317.10667 179.4
[M+K]+ 338.03601 176.0
[M+H-H2O]+ 282.07011 159.9
[M+HCOO]- 344.07105 188.4
[M+CH3COO]- 358.08670 180.2
[M+Na-2H]- 320.04752 168.3
[M]+ 299.07230 176.5
[M]- 299.07340 176.5
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.