CID 500013

[(1r)-1-acetamido-2-phenyl-ethyl]-[[(2s)-2-carbamoylpyrrolidin-1-yl]methyl]borinic acid

Structural Information

Molecular Formula
C16H24BN3O3
SMILES
B(CN1CCC[C@H]1C(=O)N)([C@H](CC2=CC=CC=C2)NC(=O)C)O
InChI
InChI=1S/C16H24BN3O3/c1-12(21)19-15(10-13-6-3-2-4-7-13)17(23)11-20-9-5-8-14(20)16(18)22/h2-4,6-7,14-15,23H,5,8-11H2,1H3,(H2,18,22)(H,19,21)/t14-,15-/m0/s1
InChIKey
SGDLRIOVDUZGLV-GJZGRUSLSA-N
Compound name
[(1R)-1-acetamido-2-phenylethyl]-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]borinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.19107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19835 176.0
[M+Na]+ 340.18029 177.0
[M-H]- 316.18379 178.5
[M+NH4]+ 335.22489 188.4
[M+K]+ 356.15423 174.7
[M+H-H2O]+ 300.18833 167.5
[M+HCOO]- 362.18927 193.0
[M+CH3COO]- 376.20492 209.4
[M+Na-2H]- 338.16574 172.5
[M]+ 317.19052 171.0
[M]- 317.19162 171.0
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.