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]+ 373.212176 190.1
[M+Na]+ 395.194118 192.1
[M-H]- 371.197624 196.9
[M+NH4]+ 390.238723 199.6
[M+K]+ 411.168058 190.4
[M+H-H2O]+ 355.202160 181.4
[M+HCOO]- 417.203101 204.7
[M+CH3COO]- 431.218751 215.2
[M+Na-2H]- 393.179566 189.8
[M]+ 372.20435142 188.0
[M]- 372.20544858 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.