CID 212680

24642-47-5

Structural Information

Molecular Formula
C24H27NO2
SMILES
CC(C#CCN1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H27NO2/c1-20(12-11-19-25-17-9-4-10-18-25)27-24(26)23(21-13-5-2-6-14-21)22-15-7-3-8-16-22/h2-3,5-8,13-16,20,23H,4,9-10,17-19H2,1H3
InChIKey
XMUDAMZSELARSD-UHFFFAOYSA-N
Compound name
5-piperidin-1-ylpent-3-yn-2-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2042 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 193.1
[M+Na]+ 384.19342 204.9
[M+NH4]+ 379.23802 196.8
[M+K]+ 400.16736 193.6
[M-H]- 360.19692 189.8
[M+Na-2H]- 382.17887 197.4
[M]+ 361.20365 193.0
[M]- 361.20475 193.0
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.