CID 989462

38818-25-6

Structural Information

Molecular Formula
C25H32N4O2
SMILES
C1CCN(CC1)C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)N4CCCCC4
InChI
InChI=1S/C25H32N4O2/c30-24(28-15-3-1-4-16-28)26-22-11-7-20(8-12-22)19-21-9-13-23(14-10-21)27-25(31)29-17-5-2-6-18-29/h7-14H,1-6,15-19H2,(H,26,30)(H,27,31)
InChIKey
HITOEWKHQSLMQS-UHFFFAOYSA-N
Compound name
N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

420.25253 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.259806 202.2
[M+Na]+ 443.241748 200.2
[M-H]- 419.245254 209.0
[M+NH4]+ 438.286353 206.9
[M+K]+ 459.215688 194.6
[M+H-H2O]+ 403.249790 188.9
[M+HCOO]- 465.250731 214.7
[M+CH3COO]- 479.266381 206.8
[M+Na-2H]- 441.227196 201.2
[M]+ 420.25198142 191.4
[M]- 420.25307858 191.4
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

patents stripe