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
10
Annotation Hits

2361
References

23535
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 191.0
[M+Na]+ 402.15884 198.6
[M-H]- 378.16234 195.0
[M+NH4]+ 397.20344 200.2
[M+K]+ 418.13278 190.5
[M+H-H2O]+ 362.16688 178.8
[M+HCOO]- 424.16782 205.9
[M+CH3COO]- 438.18347 199.2
[M+Na-2H]- 400.14429 190.9
[M]+ 379.16907 189.1
[M]- 379.17017 189.1
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

No patent data available for this compound.