CID 6446457

Brn 0320957

Structural Information

Molecular Formula
C25H31NO2
SMILES
CCC(=O)OC1(CC(N(CC1C)C/C=C/C2=CC=CC=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C25H31NO2/c1-4-24(27)28-25(23-15-9-6-10-16-23)18-21(3)26(19-20(25)2)17-11-14-22-12-7-5-8-13-22/h5-16,20-21H,4,17-19H2,1-3H3/b14-11+
InChIKey
QXMSCSUBPZKUGJ-SDNWHVSQSA-N
Compound name
[2,5-dimethyl-4-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.23547 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24275 196.3
[M+Na]+ 400.22469 200.3
[M-H]- 376.22819 203.2
[M+NH4]+ 395.26929 208.3
[M+K]+ 416.19863 194.6
[M+H-H2O]+ 360.23273 185.7
[M+HCOO]- 422.23367 212.4
[M+CH3COO]- 436.24932 219.3
[M+Na-2H]- 398.21014 195.6
[M]+ 377.23492 194.7
[M]- 377.23602 194.7
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.