CID 135399488

19062-53-4

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1CN(CCN1CC2=NC3=CC=CC=C3C(=O)N2)C4=CC=CC=C4
InChI
InChI=1S/C19H20N4O/c24-19-16-8-4-5-9-17(16)20-18(21-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,21,24)
InChIKey
BDTMVYOHGOZGCN-UHFFFAOYSA-N
Compound name
2-[(4-phenylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

320.1637 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 178.9
[M+Na]+ 343.15292 185.4
[M-H]- 319.15642 181.7
[M+NH4]+ 338.19752 186.9
[M+K]+ 359.12686 177.2
[M+H-H2O]+ 303.16096 166.2
[M+HCOO]- 365.16190 191.3
[M+CH3COO]- 379.17755 186.6
[M+Na-2H]- 341.13837 183.9
[M]+ 320.16315 173.2
[M]- 320.16425 173.2
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