CID 135543248

Brn 0839637

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C19H20N4O/c24-18-16-8-4-5-9-17(16)20-19(21-18)23-12-10-22(11-13-23)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,21,24)
InChIKey
PNLNMKQYPUQOIC-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.1637 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

patents stripe