CID 206558

28143-74-0

Structural Information

Molecular Formula
C30H44N2O2
SMILES
CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C30H44N2O2/c1-6-8-20-32(21-9-7-2)24-29(4)23-31(5)25(3)22-30(29,27-18-14-11-15-19-27)34-28(33)26-16-12-10-13-17-26/h10-19,25H,6-9,20-24H2,1-5H3
InChIKey
ICHUXFFPDWMUOV-UHFFFAOYSA-N
Compound name
[5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.34027 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.34755 220.0
[M+Na]+ 487.32949 221.6
[M-H]- 463.33299 227.3
[M+NH4]+ 482.37409 230.6
[M+K]+ 503.30343 217.4
[M+H-H2O]+ 447.33753 208.5
[M+HCOO]- 509.33847 235.6
[M+CH3COO]- 523.35412 243.0
[M+Na-2H]- 485.31494 217.8
[M]+ 464.33972 221.7
[M]- 464.34082 221.7
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.