CID 199342

6-chloro-3-(3-(4-p-chlorophenyl-1-piperazinyl)propyl)-2,4(1h,3h)-quinazolinedione maleate

Structural Information

Molecular Formula
C21H22Cl2N4O2
SMILES
C1CN(CCN1CCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H22Cl2N4O2/c22-15-2-5-17(6-3-15)26-12-10-25(11-13-26)8-1-9-27-20(28)18-14-16(23)4-7-19(18)24-21(27)29/h2-7,14H,1,8-13H2,(H,24,29)
InChIKey
CZASRGSYSFTFIS-UHFFFAOYSA-N
Compound name
6-chloro-3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.11197 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11925 201.2
[M+Na]+ 455.10119 210.2
[M-H]- 431.10469 203.4
[M+NH4]+ 450.14579 206.7
[M+K]+ 471.07513 200.5
[M+H-H2O]+ 415.10923 188.7
[M+HCOO]- 477.11017 203.4
[M+CH3COO]- 491.12582 207.6
[M+Na-2H]- 453.08664 201.6
[M]+ 432.11142 201.5
[M]- 432.11252 201.5
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.