CID 6446797

Brn 0556966

Structural Information

Molecular Formula
C17H21NO4
SMILES
CC(CN1CCOCC1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H21NO4/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/h2-5,10,13H,6-9,11-12H2,1H3/b4-2+
InChIKey
XMZQGLGFSBRADW-DUXPYHPUSA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-4-methyl-5-morpholin-4-ylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 172.7
[M+Na]+ 326.13628 176.3
[M-H]- 302.13978 179.2
[M+NH4]+ 321.18088 184.2
[M+K]+ 342.11022 176.6
[M+H-H2O]+ 286.14432 165.1
[M+HCOO]- 348.14526 185.8
[M+CH3COO]- 362.16091 202.3
[M+Na-2H]- 324.12173 174.3
[M]+ 303.14651 172.3
[M]- 303.14761 172.3
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

patents stripe