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]+ 364.190716 193.9
[M+Na]+ 386.172658 198.3
[M-H]- 362.176164 195.7
[M+NH4]+ 381.217263 201.3
[M+K]+ 402.146598 189.8
[M+H-H2O]+ 346.180700 177.9
[M+HCOO]- 408.181641 202.3
[M+CH3COO]- 422.197291 214.1
[M+Na-2H]- 384.158106 194.1
[M]+ 363.18289142 183.6
[M]- 363.18398858 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.