CID 3168

Droperidol

Structural Information

Molecular Formula
C22H22FN3O2
SMILES
C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
InChIKey
RMEDXOLNCUSCGS-UHFFFAOYSA-N
Compound name
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2359
References

23058
Patents

379.16962 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17690 192.3
[M+Na]+ 402.15884 206.3
[M+NH4]+ 397.20344 198.1
[M+K]+ 418.13278 199.9
[M-H]- 378.16234 195.0
[M+Na-2H]- 400.14429 199.2
[M]+ 379.16907 194.9
[M]- 379.17017 194.9
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