CID 9853053

Lomitapide

Structural Information

Molecular Formula
C39H37F6N3O2
SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F
InChI
InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)
InChIKey
MBBCVAKAJPKAKM-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)-9-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]fluorene-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

153
References

3473
Patents

693.279 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.28628 266.5
[M+Na]+ 716.26822 268.4
[M-H]- 692.27172 269.3
[M+NH4]+ 711.31282 267.4
[M+K]+ 732.24216 258.9
[M+H-H2O]+ 676.27626 248.5
[M+HCOO]- 738.27720 269.7
[M+CH3COO]- 752.29285 278.1
[M+Na-2H]- 714.25367 262.1
[M]+ 693.27845 256.9
[M]- 693.27955 256.9
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.