CID 6602197

51478-17-2

Structural Information

Molecular Formula
C19H27NO
SMILES
C[C@@H]1[C@H]2CC3=C([C@@]1(CCCN2CC4CC4)C)C=C(C=C3)O
InChI
InChI=1S/C19H27NO/c1-13-18-10-15-6-7-16(21)11-17(15)19(13,2)8-3-9-20(18)12-14-4-5-14/h6-7,11,13-14,18,21H,3-5,8-10,12H2,1-2H3/t13-,18-,19-/m1/s1
InChIKey
PYACFTWEGRETLV-UPRAQXHNSA-N
Compound name
(1R,9R,14S)-10-(cyclopropylmethyl)-1,14-dimethyl-10-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

285.20926 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 167.1
[M+Na]+ 308.19848 173.8
[M-H]- 284.20198 172.3
[M+NH4]+ 303.24308 180.1
[M+K]+ 324.17242 171.7
[M+H-H2O]+ 268.20652 160.9
[M+HCOO]- 330.20746 179.0
[M+CH3COO]- 344.22311 176.2
[M+Na-2H]- 306.18393 170.6
[M]+ 285.20871 164.2
[M]- 285.20981 164.2
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.