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 179.1
[M+Na]+ 343.15292 185.9
[M-H]- 319.15642 183.1
[M+NH4]+ 338.19752 187.7
[M+K]+ 359.12686 178.6
[M+H-H2O]+ 303.16096 165.8
[M+HCOO]- 365.16190 192.9
[M+CH3COO]- 379.17755 187.4
[M+Na-2H]- 341.13837 184.3
[M]+ 320.16315 175.0
[M]- 320.16425 175.0
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.