CID 6913741

36174-39-7

Structural Information

Molecular Formula
C28H38N2O2
SMILES
CCN(CC)CC1CN(C(CC1(C2=CC=CC=C2)OC(=O)/C(=C/C3=CC=CC=C3)/C)C)C
InChI
InChI=1S/C28H38N2O2/c1-6-30(7-2)21-26-20-29(5)23(4)19-28(26,25-16-12-9-13-17-25)32-27(31)22(3)18-24-14-10-8-11-15-24/h8-18,23,26H,6-7,19-21H2,1-5H3/b22-18+
InChIKey
CCSMBPJRQDMNDD-RELWKKBWSA-N
Compound name
[5-(diethylaminomethyl)-1,2-dimethyl-4-phenylpiperidin-4-yl] (E)-2-methyl-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.29333 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.300606 211.9
[M+Na]+ 457.282548 213.4
[M-H]- 433.286054 219.5
[M+NH4]+ 452.327153 221.6
[M+K]+ 473.256488 209.2
[M+H-H2O]+ 417.290590 200.6
[M+HCOO]- 479.291531 227.3
[M+CH3COO]- 493.307181 237.2
[M+Na-2H]- 455.267996 208.4
[M]+ 434.29278142 211.2
[M]- 434.29387858 211.2
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.