CID 6446804

Brn 0551652

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(CN1CCOCC1)C(/C=C/C2=CC3=C(C=C2)OCO3)O
InChI
InChI=1S/C17H23NO4/c1-13(11-18-6-8-20-9-7-18)15(19)4-2-14-3-5-16-17(10-14)22-12-21-16/h2-5,10,13,15,19H,6-9,11-12H2,1H3/b4-2+
InChIKey
JEDYSITVWJPBNS-DUXPYHPUSA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-4-methyl-5-morpholin-4-ylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 173.2
[M+Na]+ 328.15194 182.9
[M+NH4]+ 323.19654 179.7
[M+K]+ 344.12588 180.4
[M-H]- 304.15544 178.6
[M+Na-2H]- 326.13739 174.5
[M]+ 305.16217 175.8
[M]- 305.16327 175.8
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

patents stripe