CID 211214

22662-34-6

Structural Information

Molecular Formula
C22H27FN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=CC=CC=C3F
InChI
InChI=1S/C22H27FN2O4/c1-27-20-14-16(15-21(28-2)22(20)29-3)19(26)8-9-24-10-12-25(13-11-24)18-7-5-4-6-17(18)23/h4-7,14-15H,8-13H2,1-3H3
InChIKey
TZJOYJGCUAVJNW-UHFFFAOYSA-N
Compound name
3-[4-(2-fluorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1955 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20278 198.0
[M+Na]+ 425.18472 203.2
[M-H]- 401.18822 202.8
[M+NH4]+ 420.22932 205.6
[M+K]+ 441.15866 199.1
[M+H-H2O]+ 385.19276 185.4
[M+HCOO]- 447.19370 212.5
[M+CH3COO]- 461.20935 225.0
[M+Na-2H]- 423.17017 195.9
[M]+ 402.19495 198.9
[M]- 402.19605 198.9
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.