CID 135926893

Sodium (4-oxo-3,4-dihydroquinazolin-2-yl)methanesulfonate

Structural Information

Molecular Formula
C9H8N2O4S
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)CS(=O)(=O)O
InChI
InChI=1S/C9H8N2O4S/c12-9-6-3-1-2-4-7(6)10-8(11-9)5-16(13,14)15/h1-4H,5H2,(H,10,11,12)(H,13,14,15)
InChIKey
QCBKTJMSRXKSMM-UHFFFAOYSA-N
Compound name
(4-oxo-3H-quinazolin-2-yl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02048 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02776 148.6
[M+Na]+ 263.00970 160.9
[M+NH4]+ 258.05430 154.6
[M+K]+ 278.98364 154.7
[M-H]- 239.01320 147.4
[M+Na-2H]- 260.99515 153.2
[M]+ 240.01993 150.3
[M]- 240.02103 150.3
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

No patent data available for this compound.