CID 135520446

684276-17-3

Structural Information

Molecular Formula

C₁₅H₁₉N₃OS

SMILES

C1CCN(CC1)CCSC2=NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C15H19N3OS/c19-14-12-6-2-3-7-13(12)16-15(17-14)20-11-10-18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-11H2,(H,16,17,19)

InChIKey

QEAAIHDHSHTGMZ-UHFFFAOYSA-N

Compound name

2-(2-piperidin-1-ylethylsulfanyl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 5
Patents: 289.12488 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	290.13216	165.2
[M+Na]+	312.11410	178.8
[M+NH4]+	307.15870	173.4
[M+K]+	328.08804	168.7
[M-H]-	288.11760	168.4
[M+Na-2H]-	310.09955	171.8
[M]+	289.12433	168.5
[M]-	289.12543	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe