CID 3064380

102071-88-5

Structural Information

Molecular Formula
C16H22N2O4
SMILES
C1COCCN1C(=O)CCNCC2COC3=CC=CC=C3O2
InChI
InChI=1S/C16H22N2O4/c19-16(18-7-9-20-10-8-18)5-6-17-11-13-12-21-14-3-1-2-4-15(14)22-13/h1-4,13,17H,5-12H2
InChIKey
KONQRDABLMBSAO-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 172.6
[M+Na]+ 329.147178 174.8
[M-H]- 305.150684 178.6
[M+NH4]+ 324.191783 181.7
[M+K]+ 345.121118 175.5
[M+H-H2O]+ 289.155220 163.0
[M+HCOO]- 351.156161 185.6
[M+CH3COO]- 365.171811 204.9
[M+Na-2H]- 327.132626 178.2
[M]+ 306.15741142 170.3
[M]- 306.15850858 170.3
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.