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]+ 361.24858 191.3
[M+Na]+ 383.23052 191.4
[M-H]- 359.23402 195.4
[M+NH4]+ 378.27512 201.7
[M+K]+ 399.20446 189.6
[M+H-H2O]+ 343.23856 180.6
[M+HCOO]- 405.23950 209.3
[M+CH3COO]- 419.25515 220.7
[M+Na-2H]- 381.21597 191.0
[M]+ 360.24075 193.1
[M]- 360.24185 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.