CID 135514859

Bx0u256k65

Structural Information

Molecular Formula
C22H20N4O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC4=CC5=CC=CC=C5C=C4C(=O)N3
InChI
InChI=1S/C22H20N4O/c27-21-19-14-16-6-4-5-7-17(16)15-20(19)23-22(24-21)26-12-10-25(11-13-26)18-8-2-1-3-9-18/h1-9,14-15H,10-13H2,(H,23,24,27)
InChIKey
FGYCPVBLVCOZHR-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-3H-benzo[g]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1637 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 188.0
[M+Na]+ 379.15292 196.1
[M-H]- 355.15642 192.0
[M+NH4]+ 374.19752 195.4
[M+K]+ 395.12686 186.5
[M+H-H2O]+ 339.16096 174.3
[M+HCOO]- 401.16190 200.1
[M+CH3COO]- 415.17755 195.5
[M+Na-2H]- 377.13837 194.4
[M]+ 356.16315 183.5
[M]- 356.16425 183.5
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.