CID 50988977

1-methyl-2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride

Structural Information

Molecular Formula
C8H6ClN3O4S
SMILES
CN1C2=C(C=C(C=N2)S(=O)(=O)Cl)C(=O)NC1=O
InChI
InChI=1S/C8H6ClN3O4S/c1-12-6-5(7(13)11-8(12)14)2-4(3-10-6)17(9,15)16/h2-3H,1H3,(H,11,13,14)
InChIKey
FHJPNZYMEGEHKE-UHFFFAOYSA-N
Compound name
1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.97675 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.98403 155.7
[M+Na]+ 297.96597 170.1
[M+NH4]+ 293.01057 161.4
[M+K]+ 313.93991 163.4
[M-H]- 273.96947 154.1
[M+Na-2H]- 295.95142 160.0
[M]+ 274.97620 157.9
[M]- 274.97730 157.9
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

patents stripe