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

20
Patents

362.22055 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.227826 189.3
[M+Na]+ 385.209768 191.4
[M-H]- 361.213274 193.2
[M+NH4]+ 380.254373 199.9
[M+K]+ 401.183708 189.5
[M+H-H2O]+ 345.217810 180.4
[M+HCOO]- 407.218751 204.7
[M+CH3COO]- 421.234401 217.1
[M+Na-2H]- 383.195216 189.2
[M]+ 362.22000142 189.1
[M]- 362.22109858 189.1
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

patents stripe