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 190.7
[M+Na]+ 370.17776 195.8
[M-H]- 346.18126 194.1
[M+NH4]+ 365.22236 201.1
[M+K]+ 386.15170 187.5
[M+H-H2O]+ 330.18580 174.6
[M+HCOO]- 392.18674 202.0
[M+CH3COO]- 406.20239 215.1
[M+Na-2H]- 368.16321 186.9
[M]+ 347.18799 182.3
[M]- 347.18909 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.