CID 63762

33081-00-4

Structural Information

Molecular Formula
C20H22N4O
SMILES
CN1CCN(CC1)CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C20H22N4O/c1-22-11-13-23(14-12-22)15-19-21-18-10-6-5-9-17(18)20(25)24(19)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKey
DMSSAJKIESDCEB-UHFFFAOYSA-N
Compound name
2-[(4-methylpiperazin-1-yl)methyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17935 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.186626 184.5
[M+Na]+ 357.168568 191.8
[M-H]- 333.172074 188.7
[M+NH4]+ 352.213173 192.9
[M+K]+ 373.142508 184.3
[M+H-H2O]+ 317.176610 171.3
[M+HCOO]- 379.177551 198.0
[M+CH3COO]- 393.193201 192.7
[M+Na-2H]- 355.154016 188.4
[M]+ 334.17880142 181.2
[M]- 334.17989858 181.2
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.