CID 470144

Chembl36226

Structural Information

Molecular Formula
C19H37N3O4
SMILES
CC(C)CN1CC(C[C@H]1C(=O)NC(C)(C)C)(CNC(=O)OC(C)(C)C)O
InChI
InChI=1S/C19H37N3O4/c1-13(2)10-22-12-19(25,11-20-16(24)26-18(6,7)8)9-14(22)15(23)21-17(3,4)5/h13-14,25H,9-12H2,1-8H3,(H,20,24)(H,21,23)/t14-,19?/m0/s1
InChIKey
PBNAKWYOQJBHSJ-KTQQKIMGSA-N
Compound name
tert-butyl N-[[(5S)-5-(tert-butylcarbamoyl)-3-hydroxy-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2784 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.28568 191.3
[M+Na]+ 394.26762 193.4
[M-H]- 370.27112 191.4
[M+NH4]+ 389.31222 205.2
[M+K]+ 410.24156 193.3
[M+H-H2O]+ 354.27566 186.8
[M+HCOO]- 416.27660 204.9
[M+CH3COO]- 430.29225 220.9
[M+Na-2H]- 392.25307 190.5
[M]+ 371.27785 192.1
[M]- 371.27895 192.1
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.