CID 11902981

76122-99-1

Structural Information

Molecular Formula
C24H25N3O2
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)N)C(=O)NC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H25N3O2/c25-21(15-17-7-2-1-3-8-17)24(29)27-14-6-11-22(27)23(28)26-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,25H2,(H,26,28)/t21-,22-/m0/s1
InChIKey
MWOPITSMSFRRED-VXKWHMMOSA-N
Compound name
(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

387.19467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20195 195.2
[M+Na]+ 410.18389 205.7
[M+NH4]+ 405.22849 202.1
[M+K]+ 426.15783 200.5
[M-H]- 386.18739 201.1
[M+Na-2H]- 408.16934 202.0
[M]+ 387.19412 198.0
[M]- 387.19522 198.0
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

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