CID 921905

134615-83-1

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]+ 326.095776 173.9
[M+Na]+ 348.077718 183.6
[M-H]- 324.081224 178.9
[M+NH4]+ 343.122323 186.5
[M+K]+ 364.051658 177.1
[M+H-H2O]+ 308.085760 164.9
[M+HCOO]- 370.086701 189.4
[M+CH3COO]- 384.102351 184.5
[M+Na-2H]- 346.063166 176.8
[M]+ 325.08795142 176.7
[M]- 325.08904858 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.