CID 512192

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

Structural Information

Molecular Formula
C18H13N3O3S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H13N3O3S/c1-11-19-17-15(13(10-25-17)14-8-5-9-24-14)18(23)21(11)20-16(22)12-6-3-2-4-7-12/h2-10H,1H3,(H,20,22)
InChIKey
WJFOBYXLHFEUTG-UHFFFAOYSA-N
Compound name
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.06775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07503 179.8
[M+Na]+ 374.05697 191.9
[M-H]- 350.06047 191.1
[M+NH4]+ 369.10157 194.2
[M+K]+ 390.03091 187.6
[M+H-H2O]+ 334.06501 172.6
[M+HCOO]- 396.06595 199.9
[M+CH3COO]- 410.08160 192.5
[M+Na-2H]- 372.04242 181.1
[M]+ 351.06720 187.0
[M]- 351.06830 187.0
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.