CID 73333

Amperozide

Structural Information

Molecular Formula
C23H29F2N3O
SMILES
CCNC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)
InChIKey
NNAIYOXJNVGUOM-UHFFFAOYSA-N
Compound name
4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

116
References

1228
Patents

401.22787 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.23515 200.0
[M+Na]+ 424.21709 202.6
[M-H]- 400.22059 202.5
[M+NH4]+ 419.26169 207.1
[M+K]+ 440.19103 196.0
[M+H-H2O]+ 384.22513 186.4
[M+HCOO]- 446.22607 212.8
[M+CH3COO]- 460.24172 226.3
[M+Na-2H]- 422.20254 197.5
[M]+ 401.22732 193.9
[M]- 401.22842 193.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe