CID 24844455

102207-53-4

Structural Information

Molecular Formula
C21H30N2O4
SMILES
C1CN(CC=C1)C(C2=CC=CC=C2)C(=O)OCCOCCN3CCOCC3
InChI
InChI=1S/C21H30N2O4/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/h1-5,7-8,20H,6,9-18H2
InChIKey
IHCZVFMRCPBNGY-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-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

374.22055 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.22783 191.4
[M+Na]+ 397.20977 190.3
[M-H]- 373.21327 195.8
[M+NH4]+ 392.25437 197.2
[M+K]+ 413.18371 188.6
[M+H-H2O]+ 357.21781 179.2
[M+HCOO]- 419.21875 202.7
[M+CH3COO]- 433.23440 214.4
[M+Na-2H]- 395.19522 191.6
[M]+ 374.22000 188.0
[M]- 374.22110 188.0
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.