CID 125181260

5f-app-pica

Structural Information

Molecular Formula
C23H26FN3O2
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)C2=CN(C3=CC=CC=C32)CCCCCF
InChI
InChI=1S/C23H26FN3O2/c24-13-7-2-8-14-27-16-19(18-11-5-6-12-21(18)27)23(29)26-20(22(25)28)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,20H,2,7-8,13-15H2,(H2,25,28)(H,26,29)/t20-/m0/s1
InChIKey
DDVANTXQCRMRFF-FQEVSTJZSA-N
Compound name
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(5-fluoropentyl)indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

395.2009 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20818 196.3
[M+Na]+ 418.19012 205.7
[M+NH4]+ 413.23472 201.4
[M+K]+ 434.16406 200.6
[M-H]- 394.19362 198.3
[M+Na-2H]- 416.17557 201.0
[M]+ 395.20035 197.7
[M]- 395.20145 197.7
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