CID 512197

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

Structural Information

Molecular Formula
C19H15N3O4S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H15N3O4S/c1-11-20-18-16(14(10-27-18)15-4-3-9-26-15)19(24)22(11)21-17(23)12-5-7-13(25-2)8-6-12/h3-10H,1-2H3,(H,21,23)
InChIKey
OGVXQUWWTUCPJK-UHFFFAOYSA-N
Compound name
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.07834 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08562 187.6
[M+Na]+ 404.06756 199.6
[M-H]- 380.07106 199.1
[M+NH4]+ 399.11216 200.9
[M+K]+ 420.04150 195.8
[M+H-H2O]+ 364.07560 180.3
[M+HCOO]- 426.07654 207.5
[M+CH3COO]- 440.09219 199.9
[M+Na-2H]- 402.05301 188.0
[M]+ 381.07779 196.9
[M]- 381.07889 196.9
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.