CID 206542

28104-85-0

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC12CCCN(C(C1(C)O)CC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C16H23NO2/c1-15-7-4-8-17(3)14(16(15,2)19)9-11-5-6-12(18)10-13(11)15/h5-6,10,14,18-19H,4,7-9H2,1-3H3
InChIKey
MHZBFIOWMZBFJF-UHFFFAOYSA-N
Compound name
1,10,14-trimethyl-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene-4,14-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 154.5
[M+Na]+ 284.16210 164.5
[M+NH4]+ 279.20670 165.1
[M+K]+ 300.13604 156.4
[M-H]- 260.16560 155.4
[M+Na-2H]- 282.14755 159.5
[M]+ 261.17233 156.5
[M]- 261.17343 156.5
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

No patent data available for this compound.