CID 3053882

Brn 0851833

Structural Information

Molecular Formula
C22H24N4O2
SMILES
CN1CCN(CC1)C(=O)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C22H24N4O2/c1-24-13-15-25(16-14-24)20(27)11-12-26-21(17-7-3-2-4-8-17)23-19-10-6-5-9-18(19)22(26)28/h2-10H,11-16H2,1H3
InChIKey
UBOUSGVXVUUZMD-UHFFFAOYSA-N
Compound name
3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 192.8
[M+Na]+ 399.17912 208.5
[M+NH4]+ 394.22372 199.1
[M+K]+ 415.15306 200.0
[M-H]- 375.18262 197.2
[M+Na-2H]- 397.16457 200.8
[M]+ 376.18935 196.2
[M]- 376.19045 196.2
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

No patent data available for this compound.