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 155.1
[M+Na]+ 310.98638 169.4
[M-H]- 286.98988 158.9
[M+NH4]+ 306.03098 171.5
[M+K]+ 326.96032 164.3
[M+H-H2O]+ 270.99442 149.7
[M+HCOO]- 332.99536 166.7
[M+CH3COO]- 347.01101 196.4
[M+Na-2H]- 308.97183 160.2
[M]+ 287.99661 163.6
[M]- 287.99771 163.6
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