CID 9823703

Pd0176078

Structural Information

Molecular Formula
C23H30F2N2O
SMILES
CC(C)C[C@@H](C(=O)NCCCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)NC
InChI
InChI=1S/C23H30F2N2O/c1-16(2)15-22(26-3)23(28)27-14-4-5-21(17-6-10-19(24)11-7-17)18-8-12-20(25)13-9-18/h6-13,16,21-22,26H,4-5,14-15H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKey
QGJKMAIASNMXFI-QFIPXVFZSA-N
Compound name
(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-(methylamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

388.2326 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23988 198.3
[M+Na]+ 411.22182 200.2
[M-H]- 387.22532 200.8
[M+NH4]+ 406.26642 208.6
[M+K]+ 427.19576 195.5
[M+H-H2O]+ 371.22986 187.1
[M+HCOO]- 433.23080 215.7
[M+CH3COO]- 447.24645 230.4
[M+Na-2H]- 409.20727 194.6
[M]+ 388.23205 195.8
[M]- 388.23315 195.8
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