CID 11042597

79098-75-2

Structural Information

Molecular Formula
C13H17N3O
SMILES
C1CNCCC1N2CC3=CC=CC=C3NC2=O
InChI
InChI=1S/C13H17N3O/c17-13-15-12-4-2-1-3-10(12)9-16(13)11-5-7-14-8-6-11/h1-4,11,14H,5-9H2,(H,15,17)
InChIKey
KSTFHYBYFDYWSD-UHFFFAOYSA-N
Compound name
3-piperidin-4-yl-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

231.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 155.3
[M+Na]+ 254.12638 159.9
[M-H]- 230.12988 154.6
[M+NH4]+ 249.17098 168.0
[M+K]+ 270.10032 154.0
[M+H-H2O]+ 214.13442 145.8
[M+HCOO]- 276.13536 165.8
[M+CH3COO]- 290.15101 163.7
[M+Na-2H]- 252.11183 159.5
[M]+ 231.13661 144.9
[M]- 231.13771 144.9
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