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]+ 364.20195 190.2
[M+Na]+ 386.18389 196.2
[M-H]- 362.18739 194.2
[M+NH4]+ 381.22849 197.9
[M+K]+ 402.15783 188.0
[M+H-H2O]+ 346.19193 177.6
[M+HCOO]- 408.19287 203.2
[M+CH3COO]- 422.20852 197.5
[M+Na-2H]- 384.16934 192.8
[M]+ 363.19412 185.9
[M]- 363.19522 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.