CID 3053812

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

Structural Information

Molecular Formula
C32H57N3O2
SMILES
CCCN(CCC)CC1CN(CC(C1(C2=CC=CC=C2)C(=O)OCC)CN(CCC)CCC)CC(C)C
InChI
InChI=1S/C32H57N3O2/c1-8-18-33(19-9-2)23-29-25-35(22-27(6)7)26-30(24-34(20-10-3)21-11-4)32(29,31(36)37-12-5)28-16-14-13-15-17-28/h13-17,27,29-30H,8-12,18-26H2,1-7H3
InChIKey
YKLZGNXYWWMINH-UHFFFAOYSA-N
Compound name
ethyl 3,5-bis[(dipropylamino)methyl]-1-(2-methylpropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.44507 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.45235 238.4
[M+Na]+ 538.43429 235.9
[M-H]- 514.43779 242.7
[M+NH4]+ 533.47889 245.7
[M+K]+ 554.40823 233.5
[M+H-H2O]+ 498.44233 227.4
[M+HCOO]- 560.44327 252.5
[M+CH3COO]- 574.45892 262.4
[M+Na-2H]- 536.41974 230.6
[M]+ 515.44452 243.4
[M]- 515.44562 243.4
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

No patent data available for this compound.