CID 16217932

4-(boc-amino)-1-[furan-2-yl(2-hydroxyphenyl)methyl]piperidine

Structural Information

Molecular Formula
C21H28N2O4
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C(C2=CC=CC=C2O)C3=CC=CO3
InChI
InChI=1S/C21H28N2O4/c1-21(2,3)27-20(25)22-15-10-12-23(13-11-15)19(18-9-6-14-26-18)16-7-4-5-8-17(16)24/h4-9,14-15,19,24H,10-13H2,1-3H3,(H,22,25)
InChIKey
OHZFWZIFIYATEG-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[furan-2-yl-(2-hydroxyphenyl)methyl]piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2049 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21218 190.1
[M+Na]+ 395.19412 192.1
[M-H]- 371.19762 196.9
[M+NH4]+ 390.23872 199.6
[M+K]+ 411.16806 190.4
[M+H-H2O]+ 355.20216 181.4
[M+HCOO]- 417.20310 204.7
[M+CH3COO]- 431.21875 215.2
[M+Na-2H]- 393.17957 189.8
[M]+ 372.20435 188.0
[M]- 372.20545 188.0
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.