CID 39886

51037-67-3

Structural Information

Molecular Formula
C23H28FN3O3
SMILES
CN(C)C(=O)OC(CCN1CCN(CC1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H28FN3O3/c1-25(2)23(29)30-21(22(28)18-8-10-19(24)11-9-18)12-13-26-14-16-27(17-15-26)20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3
InChIKey
FUFRWPBVUZAGJH-UHFFFAOYSA-N
Compound name
[1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.21146 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.218736 200.1
[M+Na]+ 436.200678 201.4
[M-H]- 412.204184 205.3
[M+NH4]+ 431.245283 206.7
[M+K]+ 452.174618 198.2
[M+H-H2O]+ 396.208720 187.2
[M+HCOO]- 458.209661 214.1
[M+CH3COO]- 472.225311 230.1
[M+Na-2H]- 434.186126 197.6
[M]+ 413.21091142 197.4
[M]- 413.21200858 197.4
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.