CID 46786036

3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinesulfonyl chloride

Structural Information

Molecular Formula
C9H7ClN2O4S
SMILES
CN1C(=O)C2=C(C=CC(=C2)S(=O)(=O)Cl)NC1=O
InChI
InChI=1S/C9H7ClN2O4S/c1-12-8(13)6-4-5(17(10,15)16)2-3-7(6)11-9(12)14/h2-4H,1H3,(H,11,14)
InChIKey
BQTOFEYWJPJCJM-UHFFFAOYSA-N
Compound name
3-methyl-2,4-dioxo-1H-quinazoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

273.9815 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98878 151.3
[M+Na]+ 296.97072 164.9
[M-H]- 272.97422 153.5
[M+NH4]+ 292.01532 167.3
[M+K]+ 312.94466 159.0
[M+H-H2O]+ 256.97876 146.3
[M+HCOO]- 318.97970 161.8
[M+CH3COO]- 332.99535 189.7
[M+Na-2H]- 294.95617 157.2
[M]+ 273.98095 157.3
[M]- 273.98205 157.3
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