CID 3087086

2,4(1h,3h)-quinazolinedione, 3-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1CN(CCC1CCN2C(=O)C3=CC=CC=C3NC2=O)CC4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c26-21-19-8-4-5-9-20(19)23-22(27)25(21)15-12-17-10-13-24(14-11-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H,23,27)
InChIKey
NOUFYSVCMVOTOJ-UHFFFAOYSA-N
Compound name
3-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

363.19467 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.201946 190.2
[M+Na]+ 386.183888 196.2
[M-H]- 362.187394 194.2
[M+NH4]+ 381.228493 197.9
[M+K]+ 402.157828 188.0
[M+H-H2O]+ 346.191930 177.6
[M+HCOO]- 408.192871 203.2
[M+CH3COO]- 422.208521 197.5
[M+Na-2H]- 384.169336 192.8
[M]+ 363.19412142 185.9
[M]- 363.19521858 185.9
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