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 156.5
[M+Na]+ 268.16718 163.3
[M-H]- 244.17068 159.1
[M+NH4]+ 263.21178 176.2
[M+K]+ 284.14112 161.9
[M+H-H2O]+ 228.17522 151.2
[M+HCOO]- 290.17616 169.6
[M+CH3COO]- 304.19181 167.1
[M+Na-2H]- 266.15263 161.6
[M]+ 245.17741 151.6
[M]- 245.17851 151.6
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.