CID 199400

2,4(1h,3h)-quinazolinedione, 3-(6-(4-phenyl-1-piperazinyl)hexyl)-, monohydrochloride

Structural Information

Molecular Formula
C24H30N4O2
SMILES
C1CN(CCN1CCCCCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C24H30N4O2/c29-23-21-12-6-7-13-22(21)25-24(30)28(23)15-9-2-1-8-14-26-16-18-27(19-17-26)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2,(H,25,30)
InChIKey
XYWOVPJSSPFKGF-UHFFFAOYSA-N
Compound name
3-[6-(4-phenylpiperazin-1-yl)hexyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.23688 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.24416 203.2
[M+Na]+ 429.22610 218.3
[M+NH4]+ 424.27070 208.9
[M+K]+ 445.20004 208.8
[M-H]- 405.22960 207.3
[M+Na-2H]- 427.21155 210.4
[M]+ 406.23633 206.5
[M]- 406.23743 206.5
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.