CID 70684954

Mk-52

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]+ 384.207046 191.1
[M+Na]+ 406.188988 196.7
[M-H]- 382.192494 198.6
[M+NH4]+ 401.233593 203.9
[M+K]+ 422.162928 188.6
[M+H-H2O]+ 366.197030 181.1
[M+HCOO]- 428.197971 208.9
[M+CH3COO]- 442.213621 199.7
[M+Na-2H]- 404.174436 191.5
[M]+ 383.19922142 188.8
[M]- 383.20031858 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.