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]+ 335.18663 184.5
[M+Na]+ 357.16857 191.8
[M-H]- 333.17207 188.7
[M+NH4]+ 352.21317 192.9
[M+K]+ 373.14251 184.3
[M+H-H2O]+ 317.17661 171.3
[M+HCOO]- 379.17755 198.0
[M+CH3COO]- 393.19320 192.7
[M+Na-2H]- 355.15402 188.4
[M]+ 334.17880 181.2
[M]- 334.17990 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.