CID 3078858

123035-82-5

Structural Information

Molecular Formula
C26H30N2O2
SMILES
CC1CC(C(CN1CCC2=CC=CC=C2)C)N(C3=CC=CC=C3)C(=O)C4=CC=CO4
InChI
InChI=1S/C26H30N2O2/c1-20-19-27(16-15-22-10-5-3-6-11-22)21(2)18-24(20)28(23-12-7-4-8-13-23)26(29)25-14-9-17-30-25/h3-14,17,20-21,24H,15-16,18-19H2,1-2H3
InChIKey
XCCCJWANYTZAJT-UHFFFAOYSA-N
Compound name
N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.23074 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.23802 201.5
[M+Na]+ 425.21996 204.1
[M-H]- 401.22346 213.5
[M+NH4]+ 420.26456 210.5
[M+K]+ 441.19390 200.3
[M+H-H2O]+ 385.22800 190.1
[M+HCOO]- 447.22894 219.5
[M+CH3COO]- 461.24459 209.8
[M+Na-2H]- 423.20541 199.0
[M]+ 402.23019 199.9
[M]- 402.23129 199.9
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.