CID 24885053

660846-41-3

Structural Information

Molecular Formula
C19H28N2O5
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)COC(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C19H28N2O5/c1-19(2,3)26-18(23)21-11-9-14(10-12-21)13-25-17(22)20-15-7-5-6-8-16(15)24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)
InChIKey
SAXGSDIZIYFNKD-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(2-methoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

364.19983 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20711 187.5
[M+Na]+ 387.18905 190.0
[M-H]- 363.19255 191.6
[M+NH4]+ 382.23365 198.0
[M+K]+ 403.16299 189.1
[M+H-H2O]+ 347.19709 178.6
[M+HCOO]- 409.19803 203.5
[M+CH3COO]- 423.21368 215.7
[M+Na-2H]- 385.17450 188.2
[M]+ 364.19928 188.4
[M]- 364.20038 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe