CID 92842598

145435-27-4

Structural Information

Molecular Formula
C26H32N2O5
SMILES
CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H32N2O5/c1-19(2)16-22(25(30)32-17-20-10-5-3-6-11-20)27-24(29)23-14-9-15-28(23)26(31)33-18-21-12-7-4-8-13-21/h3-8,10-13,19,22-23H,9,14-18H2,1-2H3,(H,27,29)/t22-,23-/m0/s1
InChIKey
XPYWFFWHGHZAHT-GOTSBHOMSA-N
Compound name
benzyl (2S)-2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.2311 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.23838 211.6
[M+Na]+ 475.22032 210.7
[M-H]- 451.22382 218.2
[M+NH4]+ 470.26492 218.8
[M+K]+ 491.19426 208.5
[M+H-H2O]+ 435.22836 201.1
[M+HCOO]- 497.22930 227.4
[M+CH3COO]- 511.24495 232.5
[M+Na-2H]- 473.20577 205.8
[M]+ 452.23055 211.8
[M]- 452.23165 211.8
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.