CID 199701

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

Structural Information

Molecular Formula
C21H23ClN4O2
SMILES
C1CN(CCN1CCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H23ClN4O2/c22-16-7-8-19-18(15-16)20(27)26(21(28)23-19)10-4-9-24-11-13-25(14-12-24)17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14H2,(H,23,28)
InChIKey
UDDBJPHENIQRRC-UHFFFAOYSA-N
Compound name
6-chloro-3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.15094 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15822 196.8
[M+Na]+ 421.14016 204.8
[M-H]- 397.14366 199.6
[M+NH4]+ 416.18476 202.9
[M+K]+ 437.11410 195.4
[M+H-H2O]+ 381.14820 183.9
[M+HCOO]- 443.14914 204.1
[M+CH3COO]- 457.16479 203.7
[M+Na-2H]- 419.12561 198.7
[M]+ 398.15039 195.4
[M]- 398.15149 195.4
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