CID 6447002

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

Structural Information

Molecular Formula
C19H25NO4
SMILES
C1CC(C(/C(=C/C2=CC3=C(C=C2)OCO3)/C1)O)CN4CCOCC4
InChI
InChI=1S/C19H25NO4/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/h4-5,10-11,16,19,21H,1-3,6-9,12-13H2/b15-10+
InChIKey
WZUKZWWUKUZCLB-XNTDXEJSSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-6-(morpholin-4-ylmethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.185616 179.2
[M+Na]+ 354.167558 181.9
[M-H]- 330.171064 187.0
[M+NH4]+ 349.212163 188.8
[M+K]+ 370.141498 180.5
[M+H-H2O]+ 314.175600 170.8
[M+HCOO]- 376.176541 188.9
[M+CH3COO]- 390.192191 187.5
[M+Na-2H]- 352.153006 179.2
[M]+ 331.17779142 173.5
[M]- 331.17888858 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