CID 6447001

Cyclohexanone, 2-(1,3-benzodioxol-5-ylmethylene)-6-(4-morpholinylmethyl)-

Structural Information

Molecular Formula
C19H23NO4
SMILES
C1CC(C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C1)CN4CCOCC4
InChI
InChI=1S/C19H23NO4/c21-19-15(10-14-4-5-17-18(11-14)24-13-23-17)2-1-3-16(19)12-20-6-8-22-9-7-20/h4-5,10-11,16H,1-3,6-9,12-13H2/b15-10+
InChIKey
WAZAVKPTHRLEBU-XNTDXEJSSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-6-(morpholin-4-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.169996 178.1
[M+Na]+ 352.151938 181.6
[M-H]- 328.155444 187.3
[M+NH4]+ 347.196543 188.4
[M+K]+ 368.125878 180.5
[M+H-H2O]+ 312.159980 169.6
[M+HCOO]- 374.160921 189.5
[M+CH3COO]- 388.176571 187.2
[M+Na-2H]- 350.137386 178.5
[M]+ 329.16217142 173.5
[M]- 329.16326858 173.5
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