CID 6449129

Ab-34

Structural Information

Molecular Formula
C24H29NO3
SMILES
CCC(=O)OC1(CCN(CC1)C/C=C/COC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H29NO3/c1-2-23(26)28-24(21-11-5-3-6-12-21)15-18-25(19-16-24)17-9-10-20-27-22-13-7-4-8-14-22/h3-14H,2,15-20H2,1H3/b10-9+
InChIKey
SFZAVPIKNUIKLT-MDZDMXLPSA-N
Compound name
[1-[(E)-4-phenoxybut-2-enyl]-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.21475 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22203 196.0
[M+Na]+ 402.20397 198.4
[M-H]- 378.20747 202.2
[M+NH4]+ 397.24857 207.1
[M+K]+ 418.17791 193.4
[M+H-H2O]+ 362.21201 184.8
[M+HCOO]- 424.21295 212.5
[M+CH3COO]- 438.22860 216.1
[M+Na-2H]- 400.18942 197.2
[M]+ 379.21420 194.5
[M]- 379.21530 194.5
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.