CID 57083504

264229-33-6

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CCOC(=O)[C@@H]1CN(CC[C@@H]1NCC2=CC=CC=C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H30N2O4/c1-5-25-18(23)16-14-22(19(24)26-20(2,3)4)12-11-17(16)21-13-15-9-7-6-8-10-15/h6-10,16-17,21H,5,11-14H2,1-4H3/t16-,17+/m1/s1
InChIKey
CRHKYBPMCRSTHO-SJORKVTESA-N
Compound name
1-O-tert-butyl 3-O-ethyl (3R,4S)-4-(benzylamino)piperidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

362.22055 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22783 188.3
[M+Na]+ 385.20977 196.6
[M+NH4]+ 380.25437 193.1
[M+K]+ 401.18371 192.2
[M-H]- 361.21327 189.5
[M+Na-2H]- 383.19522 192.0
[M]+ 362.22000 189.5
[M]- 362.22110 189.5
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

patents stripe