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 160.7
[M+Na]+ 284.16210 168.1
[M-H]- 260.16560 162.2
[M+NH4]+ 279.20670 180.9
[M+K]+ 300.13604 166.3
[M+H-H2O]+ 244.17014 155.5
[M+HCOO]- 306.17108 172.4
[M+CH3COO]- 320.18673 170.8
[M+Na-2H]- 282.14755 166.5
[M]+ 261.17233 155.9
[M]- 261.17343 155.9
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.