CID 121264

2,4(1h,3h)-quinazolinedione, 3-(2-piperidinoethyl)-, hydrochloride

Structural Information

Molecular Formula
C15H19N3O2
SMILES
C1CCN(CC1)CCN2C(=O)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C15H19N3O2/c19-14-12-6-2-3-7-13(12)16-15(20)18(14)11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,20)
InChIKey
VOGKOHCHPHYURZ-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylethyl)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.14774 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 164.1
[M+Na]+ 296.136958 171.3
[M-H]- 272.140464 165.5
[M+NH4]+ 291.181563 176.2
[M+K]+ 312.110898 165.3
[M+H-H2O]+ 256.145000 153.9
[M+HCOO]- 318.145941 178.6
[M+CH3COO]- 332.161591 173.6
[M+Na-2H]- 294.122406 168.9
[M]+ 273.14719142 160.1
[M]- 273.14828858 160.1
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.