CID 200907

Haloperidide

Structural Information

Molecular Formula
C26H30ClFN2O2
SMILES
C1CCN(C1)C(=O)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C26H30ClFN2O2/c27-22-6-3-5-21(19-22)26(25(32)30-15-1-2-16-30)12-17-29(18-13-26)14-4-7-24(31)20-8-10-23(28)11-9-20/h3,5-6,8-11,19H,1-2,4,7,12-18H2
InChIKey
KCDNYRPDKSGQCM-UHFFFAOYSA-N
Compound name
4-[4-(3-chlorophenyl)-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

456.198 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.20528 212.2
[M+Na]+ 479.18722 215.1
[M-H]- 455.19072 218.8
[M+NH4]+ 474.23182 221.2
[M+K]+ 495.16116 207.5
[M+H-H2O]+ 439.19526 199.5
[M+HCOO]- 501.19620 219.0
[M+CH3COO]- 515.21185 217.9
[M+Na-2H]- 477.17267 206.1
[M]+ 456.19745 207.5
[M]- 456.19855 207.5
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

patents stripe