CID 3070233

86052-06-4

Structural Information

Molecular Formula
C21H32N2O3
SMILES
CCC(=O)N(C1CCN(CC1C)CCC2OCCCO2)C3=CC=CC=C3
InChI
InChI=1S/C21H32N2O3/c1-3-20(24)23(18-8-5-4-6-9-18)19-10-12-22(16-17(19)2)13-11-21-25-14-7-15-26-21/h4-6,8-9,17,19,21H,3,7,10-16H2,1-2H3
InChIKey
LKXYBUGCZDVXLN-UHFFFAOYSA-N
Compound name
N-[1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylpiperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2413 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.24858 192.5
[M+Na]+ 383.23052 192.3
[M-H]- 359.23402 200.7
[M+NH4]+ 378.27512 200.1
[M+K]+ 399.20446 192.1
[M+H-H2O]+ 343.23856 181.4
[M+HCOO]- 405.23950 205.1
[M+CH3COO]- 419.25515 220.2
[M+Na-2H]- 381.21597 191.5
[M]+ 360.24075 188.5
[M]- 360.24185 188.5
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.