CID 5874

53-27-0

Structural Information

Molecular Formula
C25H28N2O3
SMILES
CC(CN1CCC(CC1)(C2=CC=CC=C2)O)N(C3=CC=CC=C3)C(=O)C4=CC=CO4
InChI
InChI=1S/C25H28N2O3/c1-20(19-26-16-14-25(29,15-17-26)21-9-4-2-5-10-21)27(22-11-6-3-7-12-22)24(28)23-13-8-18-30-23/h2-13,18,20,29H,14-17,19H2,1H3
InChIKey
WNAOBZSKUPIRIX-UHFFFAOYSA-N
Compound name
N-[1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-2-yl]-N-phenylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.21 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.21728 198.9
[M+Na]+ 427.19922 200.3
[M-H]- 403.20272 209.5
[M+NH4]+ 422.24382 208.5
[M+K]+ 443.17316 197.6
[M+H-H2O]+ 387.20726 188.1
[M+HCOO]- 449.20820 215.1
[M+CH3COO]- 463.22385 206.6
[M+Na-2H]- 425.18467 198.2
[M]+ 404.20945 195.7
[M]- 404.21055 195.7
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.