CID 921905

Acetamide, 2-((3,4-dihydro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl)thio)-

Structural Information

Molecular Formula
C17H15N3O2S
SMILES
CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N
InChI
InChI=1S/C17H15N3O2S/c1-11-6-2-5-9-14(11)20-16(22)12-7-3-4-8-13(12)19-17(20)23-10-15(18)21/h2-9H,10H2,1H3,(H2,18,21)
InChIKey
AMKNCINOYKPVDD-UHFFFAOYSA-N
Compound name
2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 173.9
[M+Na]+ 348.07772 183.6
[M-H]- 324.08122 178.9
[M+NH4]+ 343.12232 186.5
[M+K]+ 364.05166 177.1
[M+H-H2O]+ 308.08576 164.9
[M+HCOO]- 370.08670 189.4
[M+CH3COO]- 384.10235 184.5
[M+Na-2H]- 346.06317 176.8
[M]+ 325.08795 176.7
[M]- 325.08905 176.7
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.