CID 6602204

59122-70-2

Structural Information

Molecular Formula
C16H23NO
SMILES
C[C@H]1[C@@H]2CC3=C([C@@]1(CCN(C2)C)C)C=C(C=C3)O
InChI
InChI=1S/C16H23NO/c1-11-13-8-12-4-5-14(18)9-15(12)16(11,2)6-7-17(3)10-13/h4-5,9,11,13,18H,6-8,10H2,1-3H3/t11-,13+,16+/m0/s1
InChIKey
WJIDGFVKDOMGDU-NORZTCDRSA-N
Compound name
(1R,9S,14S)-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 153.4
[M+Na]+ 268.16718 164.3
[M+NH4]+ 263.21178 163.6
[M+K]+ 284.14112 156.8
[M-H]- 244.17068 155.3
[M+Na-2H]- 266.15263 157.9
[M]+ 245.17741 155.8
[M]- 245.17851 155.8
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.