CID 6445475

36174-40-0

Structural Information

Molecular Formula
C30H42N2O2
SMILES
CCCN(CCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3)C)C)C
InChI
InChI=1S/C30H42N2O2/c1-6-20-32(21-7-2)24-29(4)23-31(5)25(3)22-30(29,27-16-12-9-13-17-27)34-28(33)19-18-26-14-10-8-11-15-26/h8-19,25H,6-7,20-24H2,1-5H3/b19-18+
InChIKey
XDFVTXLKENPIHU-VHEBQXMUSA-N
Compound name
[5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.32462 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.331896 219.0
[M+Na]+ 485.313838 221.0
[M-H]- 461.317344 226.5
[M+NH4]+ 480.358443 229.7
[M+K]+ 501.287778 216.3
[M+H-H2O]+ 445.321880 207.6
[M+HCOO]- 507.322821 234.9
[M+CH3COO]- 521.338471 241.7
[M+Na-2H]- 483.299286 216.9
[M]+ 462.32407142 220.0
[M]- 462.32516858 220.0
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.