CID 70684954

Mk-51

Structural Information

Molecular Formula
C25H25N3O
SMILES
C1C[C@H](N(C1)CC2=CC=CC3=CC=CC=C32)C(=O)NCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C25H25N3O/c29-25(27-16-20-15-26-23-12-4-3-11-22(20)23)24-13-6-14-28(24)17-19-9-5-8-18-7-1-2-10-21(18)19/h1-5,7-12,15,24,26H,6,13-14,16-17H2,(H,27,29)/t24-/m0/s1
InChIKey
CUWTVICBYHBSOX-DEOSSOPVSA-N
Compound name
(2S)-N-(1H-indol-3-ylmethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.19977 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20705 194.6
[M+Na]+ 406.18899 208.2
[M+NH4]+ 401.23359 202.9
[M+K]+ 422.16293 202.5
[M-H]- 382.19249 200.8
[M+Na-2H]- 404.17444 202.1
[M]+ 383.19922 198.2
[M]- 383.20032 198.2
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

No patent data available for this compound.