CID 199703

2,4(1h,3h)-quinazolinedione, 6-chloro-1-methyl-3-(3-(4-phenyl-1-piperazinyl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H25ClN4O2
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=O)N(C1=O)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H25ClN4O2/c1-24-20-9-8-17(23)16-19(20)21(28)27(22(24)29)11-5-10-25-12-14-26(15-13-25)18-6-3-2-4-7-18/h2-4,6-9,16H,5,10-15H2,1H3
InChIKey
ZUZIJDZGUAIYOR-UHFFFAOYSA-N
Compound name
6-chloro-1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1666 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17388 202.4
[M+Na]+ 435.15582 211.2
[M-H]- 411.15932 206.6
[M+NH4]+ 430.20042 208.8
[M+K]+ 451.12976 202.4
[M+H-H2O]+ 395.16386 189.0
[M+HCOO]- 457.16480 210.6
[M+CH3COO]- 471.18045 209.7
[M+Na-2H]- 433.14127 203.2
[M]+ 412.16605 203.3
[M]- 412.16715 203.3
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

No patent data available for this compound.