CID 24844453

102207-52-3

Structural Information

Molecular Formula
C21H32N2O3
SMILES
CCN(CC)CCOCCOC(=O)C(C1=CC=CC=C1)N2CCC=CC2
InChI
InChI=1S/C21H32N2O3/c1-3-22(4-2)15-16-25-17-18-26-21(24)20(19-11-7-5-8-12-19)23-13-9-6-10-14-23/h5-9,11-12,20H,3-4,10,13-18H2,1-2H3
InChIKey
FWJDSONESVSETQ-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethoxy]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

360.2413 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.248576 191.3
[M+Na]+ 383.230518 191.4
[M-H]- 359.234024 195.4
[M+NH4]+ 378.275123 201.7
[M+K]+ 399.204458 189.6
[M+H-H2O]+ 343.238560 180.6
[M+HCOO]- 405.239501 209.3
[M+CH3COO]- 419.255151 220.7
[M+Na-2H]- 381.215966 191.0
[M]+ 360.24075142 193.1
[M]- 360.24184858 193.1
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.