CID 135456253

4(3h)-quinazolinone, 2-piperidino-

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C13H15N3O/c17-12-10-6-2-3-7-11(10)14-13(15-12)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-9H2,(H,14,15,17)
InChIKey
LDRDHYQDRVRUPE-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

229.1215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 152.3
[M+Na]+ 252.110718 159.3
[M-H]- 228.114224 153.7
[M+NH4]+ 247.155323 166.0
[M+K]+ 268.084658 153.7
[M+H-H2O]+ 212.118760 142.5
[M+HCOO]- 274.119701 167.2
[M+CH3COO]- 288.135351 162.4
[M+Na-2H]- 250.096166 158.9
[M]+ 229.12095142 146.5
[M]- 229.12204858 146.5
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