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 152.1
[M+Na]+ 297.96597 166.0
[M-H]- 273.96947 153.0
[M+NH4]+ 293.01057 166.6
[M+K]+ 313.93991 160.1
[M+H-H2O]+ 257.97401 146.4
[M+HCOO]- 319.97495 161.5
[M+CH3COO]- 333.99060 189.7
[M+Na-2H]- 295.95142 158.2
[M]+ 274.97620 158.0
[M]- 274.97730 158.0
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