CID 214306

28060-42-6

Structural Information

Molecular Formula
C28H40N2O2
SMILES
CCCN(CCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C28H40N2O2/c1-6-18-30(19-7-2)22-27(4)21-29(5)23(3)20-28(27,25-16-12-9-13-17-25)32-26(31)24-14-10-8-11-15-24/h8-17,23H,6-7,18-22H2,1-5H3
InChIKey
CDGWUQUYRJAEGI-UHFFFAOYSA-N
Compound name
[5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.309 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.31628 211.5
[M+Na]+ 459.29822 214.0
[M-H]- 435.30172 219.3
[M+NH4]+ 454.34282 223.3
[M+K]+ 475.27216 210.3
[M+H-H2O]+ 419.30626 200.4
[M+HCOO]- 481.30720 227.8
[M+CH3COO]- 495.32285 237.2
[M+Na-2H]- 457.28367 210.4
[M]+ 436.30845 212.6
[M]- 436.30955 212.6
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.