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]+ 414.21874 200.1
[M+Na]+ 436.20068 201.4
[M-H]- 412.20418 205.3
[M+NH4]+ 431.24528 206.7
[M+K]+ 452.17462 198.2
[M+H-H2O]+ 396.20872 187.2
[M+HCOO]- 458.20966 214.1
[M+CH3COO]- 472.22531 230.1
[M+Na-2H]- 434.18613 197.6
[M]+ 413.21091 197.4
[M]- 413.21201 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.