CID 6488896

773877-44-4

Structural Information

Molecular Formula
C10H9ClN2O4S
SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)Cl)C(=O)N(C1=O)C
InChI
InChI=1S/C10H9ClN2O4S/c1-12-8-4-3-6(18(11,16)17)5-7(8)9(14)13(2)10(12)15/h3-5H,1-2H3
InChIKey
UJGIKWKPWLHWSA-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

287.99716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.00444 160.0
[M+Na]+ 310.98638 175.1
[M+NH4]+ 306.03098 166.6
[M+K]+ 326.96032 167.6
[M-H]- 286.98988 159.8
[M+Na-2H]- 308.97183 164.7
[M]+ 287.99661 162.9
[M]- 287.99771 162.9
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