CID 135520446

L-2286

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13216 164.8
[M+Na]+ 312.11410 171.5
[M-H]- 288.11760 165.9
[M+NH4]+ 307.15870 177.0
[M+K]+ 328.08804 164.9
[M+H-H2O]+ 272.12214 155.6
[M+HCOO]- 334.12308 174.4
[M+CH3COO]- 348.13873 173.8
[M+Na-2H]- 310.09955 168.0
[M]+ 289.12433 162.2
[M]- 289.12543 162.2
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

patents stripe