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]+ 361.248576 192.5
[M+Na]+ 383.230518 192.3
[M-H]- 359.234024 200.7
[M+NH4]+ 378.275123 200.1
[M+K]+ 399.204458 192.1
[M+H-H2O]+ 343.238560 181.4
[M+HCOO]- 405.239501 205.1
[M+CH3COO]- 419.255151 220.2
[M+Na-2H]- 381.215966 191.5
[M]+ 360.24075142 188.5
[M]- 360.24184858 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.