CID 10675

Cloperidone hydrochloride

Structural Information

Molecular Formula
C21H23ClN4O2
SMILES
C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H23ClN4O2/c22-16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-4-10-26-20(27)18-7-1-2-8-19(18)23-21(26)28/h1-3,5-8,15H,4,9-14H2,(H,23,28)
InChIKey
FXZJKVODWNYPKK-UHFFFAOYSA-N
Compound name
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2307
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

literature stripe

Patent stripe

patents stripe