CID 135504946

Benzo(g)quinazolin-4(3h)-one, 2-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C17H18N4O
SMILES
CN1CCN(CC1)C2=NC3=CC4=CC=CC=C4C=C3C(=O)N2
InChI
InChI=1S/C17H18N4O/c1-20-6-8-21(9-7-20)17-18-15-11-13-5-3-2-4-12(13)10-14(15)16(22)19-17/h2-5,10-11H,6-9H2,1H3,(H,18,19,22)
InChIKey
BPQZLNHAQODGAW-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-3H-benzo[g]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14807 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.155346 171.7
[M+Na]+ 317.137288 181.1
[M-H]- 293.140794 173.2
[M+NH4]+ 312.181893 182.7
[M+K]+ 333.111228 173.2
[M+H-H2O]+ 277.145330 160.3
[M+HCOO]- 339.146271 184.7
[M+CH3COO]- 353.161921 180.9
[M+Na-2H]- 315.122736 178.5
[M]+ 294.14752142 168.6
[M]- 294.14861858 168.6
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.