CID 3064379

102071-87-4

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC1CCCCN1C(=O)CCNCC2COC3=CC=CC=C3O2
InChI
InChI=1S/C18H26N2O3/c1-14-6-4-5-11-20(14)18(21)9-10-19-12-15-13-22-16-7-2-3-8-17(16)23-15/h2-3,7-8,14-15,19H,4-6,9-13H2,1H3
InChIKey
ZHNLBPRYSWJOSV-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-(2-methylpiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.201616 178.1
[M+Na]+ 341.183558 180.3
[M-H]- 317.187064 183.5
[M+NH4]+ 336.228163 188.4
[M+K]+ 357.157498 179.0
[M+H-H2O]+ 301.191600 168.4
[M+HCOO]- 363.192541 191.2
[M+CH3COO]- 377.208191 209.4
[M+Na-2H]- 339.169006 181.3
[M]+ 318.19379142 174.7
[M]- 318.19488858 174.7
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.