CID 203018

2,4(1h,3h)-quinazolinedione, 6-chloro-3-(5-(4-phenyl-1-piperazinyl)pentyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H27ClN4O2
SMILES
C1CN(CCN1CCCCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H27ClN4O2/c24-18-9-10-21-20(17-18)22(29)28(23(30)25-21)12-6-2-5-11-26-13-15-27(16-14-26)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16H2,(H,25,30)
InChIKey
IUMMYUURJZSHQY-UHFFFAOYSA-N
Compound name
6-chloro-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.18225 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.18953 205.2
[M+Na]+ 449.17147 212.2
[M-H]- 425.17497 207.6
[M+NH4]+ 444.21607 210.1
[M+K]+ 465.14541 202.4
[M+H-H2O]+ 409.17951 191.9
[M+HCOO]- 471.18045 211.8
[M+CH3COO]- 485.19610 211.2
[M+Na-2H]- 447.15692 206.1
[M]+ 426.18170 204.4
[M]- 426.18280 204.4
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