CID 56901

95441-50-2

Structural Information

Molecular Formula
C23H25NO3
SMILES
C1CCN(CC1)CC#CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C23H25NO3/c25-22(27-19-11-10-18-24-16-8-3-9-17-24)23(26,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1-2,4-7,12-15,26H,3,8-9,16-19H2
InChIKey
IKVAIDGHQFZMHS-UHFFFAOYSA-N
Compound name
4-piperidin-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 193.9
[M+Na]+ 386.17266 198.3
[M-H]- 362.17616 195.7
[M+NH4]+ 381.21726 201.3
[M+K]+ 402.14660 189.8
[M+H-H2O]+ 346.18070 177.9
[M+HCOO]- 408.18164 202.3
[M+CH3COO]- 422.19729 214.1
[M+Na-2H]- 384.15811 194.1
[M]+ 363.18289 183.6
[M]- 363.18399 183.6
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.