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

4
Patents

406.23688 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.244156 203.5
[M+Na]+ 429.226098 208.5
[M-H]- 405.229604 205.6
[M+NH4]+ 424.270703 208.0
[M+K]+ 445.200038 199.5
[M+H-H2O]+ 389.234140 189.7
[M+HCOO]- 451.235081 214.4
[M+CH3COO]- 465.250731 209.1
[M+Na-2H]- 427.211546 205.1
[M]+ 406.23633142 200.3
[M]- 406.23742858 200.3
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

patents stripe