CID 5486130

63743-76-0

Structural Information

Molecular Formula
C20H29NO
SMILES
CC(C)CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C20H29NO/c1-14(2)13-21-10-9-20-8-4-3-5-17(20)19(21)11-15-6-7-16(22)12-18(15)20/h6-7,12,14,17,19,22H,3-5,8-11,13H2,1-2H3/t17-,19+,20+/m0/s1
InChIKey
MSDWGNOEARCAOX-DFQSSKMNSA-N
Compound name
(1R,9R,10R)-17-(2-methylpropyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2249 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 176.2
[M+Na]+ 322.21412 188.1
[M+NH4]+ 317.25872 187.7
[M+K]+ 338.18806 177.6
[M-H]- 298.21762 179.9
[M+Na-2H]- 320.19957 180.2
[M]+ 299.22435 179.2
[M]- 299.22545 179.2
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.