CID 512193

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

Structural Information

Molecular Formula
C18H12ClN3O3S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H12ClN3O3S/c1-10-20-17-15(13(9-26-17)14-3-2-8-25-14)18(24)22(10)21-16(23)11-4-6-12(19)7-5-11/h2-9H,1H3,(H,21,23)
InChIKey
HAROJWVTOSOLGR-UHFFFAOYSA-N
Compound name
4-chloro-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

385.02878 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.03606 188.5
[M+Na]+ 408.01800 201.9
[M-H]- 384.02150 199.9
[M+NH4]+ 403.06260 202.6
[M+K]+ 423.99194 196.4
[M+H-H2O]+ 368.02604 181.8
[M+HCOO]- 430.02698 203.8
[M+CH3COO]- 444.04263 200.9
[M+Na-2H]- 406.00345 188.5
[M]+ 385.02823 198.2
[M]- 385.02933 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.