CID 6447019

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

Structural Information

Molecular Formula
C20H27NO4
SMILES
CC1(CCC/C(=C\C2=CC3=C(C=C2)OCO3)/C1O)CN4CCOCC4
InChI
InChI=1S/C20H27NO4/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/h4-5,11-12,19,22H,2-3,6-10,13-14H2,1H3/b16-11+
InChIKey
KHIMBCVYVVXYKZ-LFIBNONCSA-N
Compound name
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-(morpholin-4-ylmethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.194 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 184.3
[M+Na]+ 368.18322 195.1
[M+NH4]+ 363.22782 193.0
[M+K]+ 384.15716 189.2
[M-H]- 344.18672 192.3
[M+Na-2H]- 366.16867 187.9
[M]+ 345.19345 188.1
[M]- 345.19455 188.1
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.