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]+ 362.211476 192.6
[M+Na]+ 384.193418 196.3
[M-H]- 360.196924 195.2
[M+NH4]+ 379.238023 200.5
[M+K]+ 400.167358 187.8
[M+H-H2O]+ 344.201460 176.0
[M+HCOO]- 406.202401 201.5
[M+CH3COO]- 420.218051 218.2
[M+Na-2H]- 382.178866 190.0
[M]+ 361.20365142 182.3
[M]- 361.20474858 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.