CID 3053971

3,5-bis(1-piperidinylmethyl)-1-isobutyl-4-phenyl-4-piperidinecarboxylic acid ethyl ester

Structural Information

Molecular Formula
C30H49N3O2
SMILES
CCOC(=O)C1(C(CN(CC1CN2CCCCC2)CC(C)C)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C30H49N3O2/c1-4-35-29(34)30(26-14-8-5-9-15-26)27(21-31-16-10-6-11-17-31)23-33(20-25(2)3)24-28(30)22-32-18-12-7-13-19-32/h5,8-9,14-15,25,27-28H,4,6-7,10-13,16-24H2,1-3H3
InChIKey
RSRFZPAANBPNKG-UHFFFAOYSA-N
Compound name
ethyl 1-(2-methylpropyl)-4-phenyl-3,5-bis(piperidin-1-ylmethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.38248 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.38976 228.2
[M+Na]+ 506.37170 237.2
[M+NH4]+ 501.41630 235.1
[M+K]+ 522.34564 227.1
[M-H]- 482.37520 233.5
[M+Na-2H]- 504.35715 233.6
[M]+ 483.38193 230.8
[M]- 483.38303 230.8
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.