CID 512199

N-[5-(2-furyl)-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetamide

Structural Information

Molecular Formula
C13H11N3O3S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C
InChI
InChI=1S/C13H11N3O3S/c1-7-14-12-11(13(18)16(7)15-8(2)17)9(6-20-12)10-4-3-5-19-10/h3-6H,1-2H3,(H,15,17)
InChIKey
UOPGNXPMXCEJHC-UHFFFAOYSA-N
Compound name
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.05212 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05940 163.0
[M+Na]+ 312.04134 175.8
[M-H]- 288.04484 171.3
[M+NH4]+ 307.08594 180.4
[M+K]+ 328.01528 172.9
[M+H-H2O]+ 272.04938 157.0
[M+HCOO]- 334.05032 183.3
[M+CH3COO]- 348.06597 176.9
[M+Na-2H]- 310.02679 164.6
[M]+ 289.05157 171.0
[M]- 289.05267 171.0
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.