CID 17935

2898-70-6

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCN(CC3)C
InChI
InChI=1S/C23H29NO3/c1-3-27-23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)22(25)26-18-19-14-16-24(2)17-15-19/h4-13,19H,3,14-18H2,1-2H3
InChIKey
IAWYHOMSXICJHY-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl)methyl 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 191.4
[M+Na]+ 390.203968 193.1
[M-H]- 366.207474 197.6
[M+NH4]+ 385.248573 201.0
[M+K]+ 406.177908 189.2
[M+H-H2O]+ 350.212010 180.7
[M+HCOO]- 412.212951 206.4
[M+CH3COO]- 426.228601 215.4
[M+Na-2H]- 388.189416 193.0
[M]+ 367.21420142 189.6
[M]- 367.21529858 189.6
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.