CID 212678

24642-46-4

Structural Information

Molecular Formula
C23H25NO2
SMILES
CC(C#CCN1CCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H25NO2/c1-19(11-10-18-24-16-8-9-17-24)26-23(25)22(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-7,12-15,19,22H,8-9,16-18H2,1H3
InChIKey
UJUGUUXONJIWRJ-UHFFFAOYSA-N
Compound name
5-pyrrolidin-1-ylpent-3-yn-2-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 188.1
[M+Na]+ 370.17776 199.1
[M+NH4]+ 365.22236 191.7
[M+K]+ 386.15170 190.0
[M-H]- 346.18126 184.1
[M+Na-2H]- 368.16321 191.8
[M]+ 347.18799 187.6
[M]- 347.18909 187.6
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.