CID 512203

2-furancarboxamide, n-[5-(2-furanyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4h)-yl]-

Structural Information

Molecular Formula
C16H11N3O4S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4=CC=CO4
InChI
InChI=1S/C16H11N3O4S/c1-9-17-15-13(10(8-24-15)11-4-2-6-22-11)16(21)19(9)18-14(20)12-5-3-7-23-12/h2-8H,1H3,(H,18,20)
InChIKey
FQDONRUWZZWENL-UHFFFAOYSA-N
Compound name
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.04703 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05431 175.3
[M+Na]+ 364.03625 189.1
[M-H]- 340.03975 188.6
[M+NH4]+ 359.08085 190.9
[M+K]+ 380.01019 187.5
[M+H-H2O]+ 324.04429 170.5
[M+HCOO]- 386.04523 197.8
[M+CH3COO]- 400.06088 189.7
[M+Na-2H]- 362.02170 176.1
[M]+ 341.04648 186.3
[M]- 341.04758 186.3
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.