CID 203803

Brn 0470604

Structural Information

Molecular Formula
C52H70N4O4
SMILES
COC1=CC=C(C=C1)CCN2CCC(CC2)(CNC(=O)CCCCCCCCC(=O)NCC3(CCN(CC3)CCC4=CC=C(C=C4)OC)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C52H70N4O4/c1-59-47-25-21-43(22-26-47)29-35-55-37-31-51(32-38-55,45-15-9-7-10-16-45)41-53-49(57)19-13-5-3-4-6-14-20-50(58)54-42-52(46-17-11-8-12-18-46)33-39-56(40-34-52)36-30-44-23-27-48(60-2)28-24-44/h7-12,15-18,21-28H,3-6,13-14,19-20,29-42H2,1-2H3,(H,53,57)(H,54,58)
InChIKey
CJHVLDDFBGTEAL-UHFFFAOYSA-N
Compound name
N,N'-bis[[1-[2-(4-methoxyphenyl)ethyl]-4-phenylpiperidin-4-yl]methyl]decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

814.53973 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.54701 295.7
[M+Na]+ 837.52895 286.4
[M-H]- 813.53245 303.7
[M+NH4]+ 832.57355 286.1
[M+K]+ 853.50289 279.7
[M+H-H2O]+ 797.53699 275.0
[M+HCOO]- 859.53793 300.5
[M+CH3COO]- 873.55358 300.5
[M+Na-2H]- 835.51440 288.0
[M]+ 814.53918 290.9
[M]- 814.54028 290.9
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.