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]+ 295.15535 171.7
[M+Na]+ 317.13729 181.1
[M-H]- 293.14079 173.2
[M+NH4]+ 312.18189 182.7
[M+K]+ 333.11123 173.2
[M+H-H2O]+ 277.14533 160.3
[M+HCOO]- 339.14627 184.7
[M+CH3COO]- 353.16192 180.9
[M+Na-2H]- 315.12274 178.5
[M]+ 294.14752 168.6
[M]- 294.14862 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.