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 203.5
[M+Na]+ 429.22610 208.5
[M-H]- 405.22960 205.6
[M+NH4]+ 424.27070 208.0
[M+K]+ 445.20004 199.5
[M+H-H2O]+ 389.23414 189.7
[M+HCOO]- 451.23508 214.4
[M+CH3COO]- 465.25073 209.1
[M+Na-2H]- 427.21155 205.1
[M]+ 406.23633 200.3
[M]- 406.23743 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