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 194.8
[M+Na]+ 399.17912 200.9
[M-H]- 375.18262 198.8
[M+NH4]+ 394.22372 201.1
[M+K]+ 415.15306 193.7
[M+H-H2O]+ 359.18716 181.3
[M+HCOO]- 421.18810 206.9
[M+CH3COO]- 435.20375 201.9
[M+Na-2H]- 397.16457 196.7
[M]+ 376.18935 192.1
[M]- 376.19045 192.1
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.