CID 13196298

89011-86-9

Structural Information

Molecular Formula
C26H34FN3O2
SMILES
CC(CN1CCN(CC1)CC(C2=CC=C(C=C2)F)N3CCOCC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H34FN3O2/c1-21(26(31)23-5-3-2-4-6-23)19-28-11-13-29(14-12-28)20-25(30-15-17-32-18-16-30)22-7-9-24(27)10-8-22/h2-10,21,25H,11-20H2,1H3
InChIKey
IRGMEZVYFZTDHY-UHFFFAOYSA-N
Compound name
3-[4-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.26352 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.27080 210.3
[M+Na]+ 462.25274 209.0
[M-H]- 438.25624 214.7
[M+NH4]+ 457.29734 211.7
[M+K]+ 478.22668 204.2
[M+H-H2O]+ 422.26078 195.2
[M+HCOO]- 484.26172 215.7
[M+CH3COO]- 498.27737 213.8
[M+Na-2H]- 460.23819 205.7
[M]+ 439.26297 201.3
[M]- 439.26407 201.3
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