CID 11243841

(2s)-n-[(1s,2s)-2-hydroxy-1,2-diphenylethyl]-2-pyrrolidinecarboxamide

Structural Information

Molecular Formula
C19H22N2O2
SMILES
C1C[C@H](NC1)C(=O)N[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)O
InChI
InChI=1S/C19H22N2O2/c22-18(15-10-5-2-6-11-15)17(14-8-3-1-4-9-14)21-19(23)16-12-7-13-20-16/h1-6,8-11,16-18,20,22H,7,12-13H2,(H,21,23)/t16-,17-,18-/m0/s1
InChIKey
JVOUIFUIIPEWLM-BZSNNMDCSA-N
Compound name
(2S)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

310.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 173.5
[M+Na]+ 333.15734 174.4
[M-H]- 309.16084 178.0
[M+NH4]+ 328.20194 185.4
[M+K]+ 349.13128 169.7
[M+H-H2O]+ 293.16538 164.4
[M+HCOO]- 355.16632 189.8
[M+CH3COO]- 369.18197 201.4
[M+Na-2H]- 331.14279 173.0
[M]+ 310.16757 166.0
[M]- 310.16867 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.