CID 415865

123489-70-3

Structural Information

Molecular Formula
C26H32N2O2
SMILES
C1CCN(CC1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)CN4CCCCC4
InChI
InChI=1S/C26H32N2O2/c29-25(19-27-15-3-1-4-16-27)23-11-7-21(8-12-23)22-9-13-24(14-10-22)26(30)20-28-17-5-2-6-18-28/h7-14H,1-6,15-20H2
InChIKey
HEEMERDFOBAECZ-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-1-[4-[4-(2-piperidin-1-ylacetyl)phenyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

404.24637 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.25365 201.6
[M+Na]+ 427.23559 200.5
[M-H]- 403.23909 208.1
[M+NH4]+ 422.28019 207.1
[M+K]+ 443.20953 194.4
[M+H-H2O]+ 387.24363 188.2
[M+HCOO]- 449.24457 211.5
[M+CH3COO]- 463.26022 206.5
[M+Na-2H]- 425.22104 198.2
[M]+ 404.24582 192.3
[M]- 404.24692 192.3
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