CID 73994637

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

Structural Information

Molecular Formula
C7H4ClN3O4S
SMILES
C1=C(C=NC2=C1C(=O)NC(=O)N2)S(=O)(=O)Cl
InChI
InChI=1S/C7H4ClN3O4S/c8-16(14,15)3-1-4-5(9-2-3)10-7(13)11-6(4)12/h1-2H,(H2,9,10,11,12,13)
InChIKey
QUOKVTMCGVIFQC-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9611 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96838 147.8
[M+Na]+ 283.95032 161.0
[M-H]- 259.95382 147.2
[M+NH4]+ 278.99492 161.9
[M+K]+ 299.92426 154.4
[M+H-H2O]+ 243.95836 142.5
[M+HCOO]- 305.95930 156.1
[M+CH3COO]- 319.97495 183.1
[M+Na-2H]- 281.93577 154.8
[M]+ 260.96055 151.2
[M]- 260.96165 151.2
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.