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

8
Patents

273.9815 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.988776 151.3
[M+Na]+ 296.970718 164.9
[M-H]- 272.974224 153.5
[M+NH4]+ 292.015323 167.3
[M+K]+ 312.944658 159.0
[M+H-H2O]+ 256.978760 146.3
[M+HCOO]- 318.979701 161.8
[M+CH3COO]- 332.995351 189.7
[M+Na-2H]- 294.956166 157.2
[M]+ 273.98095142 157.3
[M]- 273.98204858 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