CID 199397

6-chloro-3-(4-(4-phenyl-1-piperazinyl)butyl)-2,4(1h,3h)-quinazolinedione maleate

Structural Information

Molecular Formula
C22H25ClN4O2
SMILES
C1CN(CCN1CCCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C22H25ClN4O2/c23-17-8-9-20-19(16-17)21(28)27(22(29)24-20)11-5-4-10-25-12-14-26(15-13-25)18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15H2,(H,24,29)
InChIKey
AXLZKKGPWKQUEU-UHFFFAOYSA-N
Compound name
6-chloro-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1666 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17388 201.0
[M+Na]+ 435.15582 208.5
[M-H]- 411.15932 203.6
[M+NH4]+ 430.20042 206.5
[M+K]+ 451.12976 198.9
[M+H-H2O]+ 395.16386 187.9
[M+HCOO]- 457.16480 207.9
[M+CH3COO]- 471.18045 207.4
[M+Na-2H]- 433.14127 202.4
[M]+ 412.16605 199.9
[M]- 412.16715 199.9
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