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]+ 453.238376 211.6
[M+Na]+ 475.220318 210.7
[M-H]- 451.223824 218.2
[M+NH4]+ 470.264923 218.8
[M+K]+ 491.194258 208.5
[M+H-H2O]+ 435.228360 201.1
[M+HCOO]- 497.229301 227.4
[M+CH3COO]- 511.244951 232.5
[M+Na-2H]- 473.205766 205.8
[M]+ 452.23055142 211.8
[M]- 452.23164858 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.