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]+ 274.15502 164.1
[M+Na]+ 296.13696 171.3
[M-H]- 272.14046 165.5
[M+NH4]+ 291.18156 176.2
[M+K]+ 312.11090 165.3
[M+H-H2O]+ 256.14500 153.9
[M+HCOO]- 318.14594 178.6
[M+CH3COO]- 332.16159 173.6
[M+Na-2H]- 294.12241 168.9
[M]+ 273.14719 160.1
[M]- 273.14829 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.