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 191.1
[M+Na]+ 406.18899 196.7
[M-H]- 382.19249 198.6
[M+NH4]+ 401.23359 203.9
[M+K]+ 422.16293 188.6
[M+H-H2O]+ 366.19703 181.1
[M+HCOO]- 428.19797 208.9
[M+CH3COO]- 442.21362 199.7
[M+Na-2H]- 404.17444 191.5
[M]+ 383.19922 188.8
[M]- 383.20032 188.8
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

No patent data available for this compound.