CID 56861

95130-29-3

Structural Information

Molecular Formula
C22H23NO2
SMILES
C1CCN(C1)CC#CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H23NO2/c24-22(25-18-10-9-17-23-15-7-8-16-23)21(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-6,11-14,21H,7-8,15-18H2
InChIKey
CZIAQSDIRHJNKR-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylbut-2-ynyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.180156 185.9
[M+Na]+ 356.162098 191.7
[M-H]- 332.165604 189.4
[M+NH4]+ 351.206703 196.8
[M+K]+ 372.136038 183.1
[M+H-H2O]+ 316.170140 169.7
[M+HCOO]- 378.171081 198.4
[M+CH3COO]- 392.186731 211.7
[M+Na-2H]- 354.147546 183.6
[M]+ 333.17233142 177.7
[M]- 333.17342858 177.7
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.