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 189.3
[M+Na]+ 385.20977 191.4
[M-H]- 361.21327 193.2
[M+NH4]+ 380.25437 199.9
[M+K]+ 401.18371 189.5
[M+H-H2O]+ 345.21781 180.4
[M+HCOO]- 407.21875 204.7
[M+CH3COO]- 421.23440 217.1
[M+Na-2H]- 383.19522 189.2
[M]+ 362.22000 189.1
[M]- 362.22110 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