CID 3075795

Ab-33

Structural Information

Molecular Formula
C24H27NO3
SMILES
CCC(=O)OC1(CCN(CC1)CC#CCOC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H27NO3/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/h3-8,11-14H,2,15-20H2,1H3
InChIKey
CVNAMFFNDJDQPP-UHFFFAOYSA-N
Compound name
[1-(4-phenoxybut-2-ynyl)-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1991 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.20638 195.2
[M+Na]+ 400.18832 201.5
[M-H]- 376.19182 198.7
[M+NH4]+ 395.23292 205.0
[M+K]+ 416.16226 192.6
[M+H-H2O]+ 360.19636 178.7
[M+HCOO]- 422.19730 206.3
[M+CH3COO]- 436.21295 219.1
[M+Na-2H]- 398.17377 195.2
[M]+ 377.19855 188.1
[M]- 377.19965 188.1
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.