CID 63814

4(3h)-quinazolinone, 3-(4-phenyl-1-piperazinylmethyl)-, dihydrochloride

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H20N4O/c24-19-17-8-4-5-9-18(17)20-14-23(19)15-21-10-12-22(13-11-21)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKey
CLDZDZDIUQUQRW-UHFFFAOYSA-N
Compound name
3-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 178.1
[M+Na]+ 343.15292 194.9
[M+NH4]+ 338.19752 185.9
[M+K]+ 359.12686 185.5
[M-H]- 319.15642 183.5
[M+Na-2H]- 341.13837 188.0
[M]+ 320.16315 182.1
[M]- 320.16425 182.1
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.