CID 512194

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

Structural Information

Molecular Formula
C18H11Cl2N3O3S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H11Cl2N3O3S/c1-9-21-17-15(12(8-27-17)14-3-2-6-26-14)18(25)23(9)22-16(24)11-5-4-10(19)7-13(11)20/h2-8H,1H3,(H,22,24)
InChIKey
LXDGKNCABHQPTN-UHFFFAOYSA-N
Compound name
2,4-dichloro-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

418.9898 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.99708 195.9
[M+Na]+ 441.97902 210.1
[M-H]- 417.98252 206.9
[M+NH4]+ 437.02362 209.3
[M+K]+ 457.95296 204.0
[M+H-H2O]+ 401.98706 189.7
[M+HCOO]- 463.98800 205.9
[M+CH3COO]- 478.00365 207.6
[M+Na-2H]- 439.96447 194.3
[M]+ 418.98925 207.1
[M]- 418.99035 207.1
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.