CID 126821411

3-(3-tert-butyl-4-methylpiperazin-1-yl)-n-(3-fluorophenyl)propanamide

Structural Information

Molecular Formula
C18H28FN3O
SMILES
CC(C)(C)C1CN(CCN1C)CCC(=O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C18H28FN3O/c1-18(2,3)16-13-22(11-10-21(16)4)9-8-17(23)20-15-7-5-6-14(19)12-15/h5-7,12,16H,8-11,13H2,1-4H3,(H,20,23)
InChIKey
HGZWLUYTVLDOTF-UHFFFAOYSA-N
Compound name
3-(3-tert-butyl-4-methylpiperazin-1-yl)-N-(3-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.22165 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.22893 181.2
[M+Na]+ 344.21087 185.5
[M-H]- 320.21437 182.8
[M+NH4]+ 339.25547 192.6
[M+K]+ 360.18481 181.4
[M+H-H2O]+ 304.21891 171.2
[M+HCOO]- 366.21985 194.9
[M+CH3COO]- 380.23550 212.6
[M+Na-2H]- 342.19632 181.5
[M]+ 321.22110 177.2
[M]- 321.22220 177.2
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.