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]+ 307.16524 172.6
[M+Na]+ 329.14718 174.8
[M-H]- 305.15068 178.6
[M+NH4]+ 324.19178 181.7
[M+K]+ 345.12112 175.5
[M+H-H2O]+ 289.15522 163.0
[M+HCOO]- 351.15616 185.6
[M+CH3COO]- 365.17181 204.9
[M+Na-2H]- 327.13263 178.2
[M]+ 306.15741 170.3
[M]- 306.15851 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.