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]+ 321.170976 179.1
[M+Na]+ 343.152918 185.9
[M-H]- 319.156424 183.1
[M+NH4]+ 338.197523 187.7
[M+K]+ 359.126858 178.6
[M+H-H2O]+ 303.160960 165.8
[M+HCOO]- 365.161901 192.9
[M+CH3COO]- 379.177551 187.4
[M+Na-2H]- 341.138366 184.3
[M]+ 320.16315142 175.0
[M]- 320.16424858 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.