CID 6447006

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

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC1(CCC/C(=C\C2=CC3=C(C=C2)OCO3)/C1=O)CN4CCOCC4
InChI
InChI=1S/C20H25NO4/c1-20(13-21-7-9-23-10-8-21)6-2-3-16(19(20)22)11-15-4-5-17-18(12-15)25-14-24-17/h4-5,11-12H,2-3,6-10,13-14H2,1H3/b16-11+
InChIKey
UKLYXHYYOWPUIH-LFIBNONCSA-N
Compound name
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-(morpholin-4-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 182.8
[M+Na]+ 366.16756 194.3
[M+NH4]+ 361.21216 191.6
[M+K]+ 382.14150 188.0
[M-H]- 342.17106 191.1
[M+Na-2H]- 364.15301 186.9
[M]+ 343.17779 186.8
[M]- 343.17889 186.8
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

No patent data available for this compound.