CID 24844457

102207-54-5

Structural Information

Molecular Formula
C22H32N2O3
SMILES
C1CCN(CC1)CCOCCOC(=O)C(C2=CC=CC=C2)N3CCC=CC3
InChI
InChI=1S/C22H32N2O3/c25-22(27-19-18-26-17-16-23-12-6-2-7-13-23)21(20-10-4-1-5-11-20)24-14-8-3-9-15-24/h1,3-5,8,10-11,21H,2,6-7,9,12-19H2
InChIKey
WNMRAVIYWYHCMX-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2413 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.24858 192.7
[M+Na]+ 395.23052 191.1
[M-H]- 371.23402 196.2
[M+NH4]+ 390.27512 200.0
[M+K]+ 411.20446 187.5
[M+H-H2O]+ 355.23856 180.4
[M+HCOO]- 417.23950 204.4
[M+CH3COO]- 431.25515 215.1
[M+Na-2H]- 393.21597 191.7
[M]+ 372.24075 187.6
[M]- 372.24185 187.6
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.