CID 3064182

Alpha-phenyl-1-piperidineacetic acid 2-(2-morpholinoethoxy)ethyl ester dihydrochloride

Structural Information

Molecular Formula
C21H32N2O4
SMILES
C1CCN(CC1)C(C2=CC=CC=C2)C(=O)OCCOCCN3CCOCC3
InChI
InChI=1S/C21H32N2O4/c24-21(27-18-17-26-16-13-22-11-14-25-15-12-22)20(19-7-3-1-4-8-19)23-9-5-2-6-10-23/h1,3-4,7-8,20H,2,5-6,9-18H2
InChIKey
UEQIZOWXSUXRRZ-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethoxy)ethyl 2-phenyl-2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.2362 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.24348 192.6
[M+Na]+ 399.22542 190.4
[M-H]- 375.22892 196.5
[M+NH4]+ 394.27002 198.3
[M+K]+ 415.19936 188.9
[M+H-H2O]+ 359.23346 180.4
[M+HCOO]- 421.23440 202.5
[M+CH3COO]- 435.25005 214.8
[M+Na-2H]- 397.21087 191.8
[M]+ 376.23565 187.8
[M]- 376.23675 187.8
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.