CID 135854972

4-oxo-3,4-dihydroquinazoline-6-sulfonamide

Structural Information

Molecular Formula
C8H7N3O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)N)C(=O)NC=N2
InChI
InChI=1S/C8H7N3O3S/c9-15(13,14)5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H2,9,13,14)(H,10,11,12)
InChIKey
WZJDEHJENWRSLY-UHFFFAOYSA-N
Compound name
4-oxo-3H-quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

225.02081 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02809 143.9
[M+Na]+ 248.01003 154.8
[M-H]- 224.01353 144.8
[M+NH4]+ 243.05463 159.9
[M+K]+ 263.98397 149.8
[M+H-H2O]+ 208.01807 137.6
[M+HCOO]- 270.01901 159.3
[M+CH3COO]- 284.03466 183.4
[M+Na-2H]- 245.99548 151.4
[M]+ 225.02026 144.3
[M]- 225.02136 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe