CID 63798

4(3h)-quinazolinone, 2-(s-carbamoylthiomethyl)-3-(o-tolyl)-, hydrochloride

Structural Information

Molecular Formula
C17H15N3O2S
SMILES
CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=O)N
InChI
InChI=1S/C17H15N3O2S/c1-11-6-2-5-9-14(11)20-15(10-23-17(18)22)19-13-8-4-3-7-12(13)16(20)21/h2-9H,10H2,1H3,(H2,18,22)
InChIKey
FZIPHFPJARHRCH-UHFFFAOYSA-N
Compound name
S-[[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl] carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.0885 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09578 173.3
[M+Na]+ 348.07772 188.4
[M+NH4]+ 343.12232 180.9
[M+K]+ 364.05166 178.9
[M-H]- 324.08122 177.7
[M+Na-2H]- 346.06317 181.1
[M]+ 325.08795 177.2
[M]- 325.08905 177.2
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

No patent data available for this compound.