CID 135543248

2-(4-benzyl-1-piperazinyl)-4(3h)-quinazolinone

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]+ 321.170976 178.9
[M+Na]+ 343.152918 185.4
[M-H]- 319.156424 181.7
[M+NH4]+ 338.197523 186.9
[M+K]+ 359.126858 177.2
[M+H-H2O]+ 303.160960 166.2
[M+HCOO]- 365.161901 191.3
[M+CH3COO]- 379.177551 186.6
[M+Na-2H]- 341.138366 183.9
[M]+ 320.16315142 173.2
[M]- 320.16424858 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