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

4
Patents

285.20926 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.216536 167.1
[M+Na]+ 308.198478 173.8
[M-H]- 284.201984 172.3
[M+NH4]+ 303.243083 180.1
[M+K]+ 324.172418 171.7
[M+H-H2O]+ 268.206520 160.9
[M+HCOO]- 330.207461 179.0
[M+CH3COO]- 344.223111 176.2
[M+Na-2H]- 306.183926 170.6
[M]+ 285.20871142 164.2
[M]- 285.20980858 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.