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 192.6
[M+Na]+ 384.19342 196.3
[M-H]- 360.19692 195.2
[M+NH4]+ 379.23802 200.5
[M+K]+ 400.16736 187.8
[M+H-H2O]+ 344.20146 176.0
[M+HCOO]- 406.20240 201.5
[M+CH3COO]- 420.21805 218.2
[M+Na-2H]- 382.17887 190.0
[M]+ 361.20365 182.3
[M]- 361.20475 182.3
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.