CID 213730

1-piperazinecarboxylic acid, 4-(4-(4-fluorophenyl)-4-oxobutyl)-, ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C17H23FN2O3
SMILES
CCOC(=O)N1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H23FN2O3/c1-2-23-17(22)20-12-10-19(11-13-20)9-3-4-16(21)14-5-7-15(18)8-6-14/h5-8H,2-4,9-13H2,1H3
InChIKey
ZHLRBJJDIYSXCN-UHFFFAOYSA-N
Compound name
ethyl 4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16928 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17656 177.1
[M+Na]+ 345.15850 181.1
[M-H]- 321.16200 178.3
[M+NH4]+ 340.20310 188.0
[M+K]+ 361.13244 177.8
[M+H-H2O]+ 305.16654 166.4
[M+HCOO]- 367.16748 191.4
[M+CH3COO]- 381.18313 207.2
[M+Na-2H]- 343.14395 176.3
[M]+ 322.16873 175.1
[M]- 322.16983 175.1
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.