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

literature stripe

Patent stripe

patents stripe