CID 5486103

63732-79-6

Structural Information

Molecular Formula
C23H33NO
SMILES
CCC(=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O)CC
InChI
InChI=1S/C23H33NO/c1-3-17(4-2)10-13-24-14-12-23-11-6-5-7-20(23)22(24)15-18-8-9-19(25)16-21(18)23/h8-10,16,20,22,25H,3-7,11-15H2,1-2H3/t20-,22+,23+/m0/s1
InChIKey
USLFQBUCZVLPHM-MDNUFGMLSA-N
Compound name
(1R,9R,10R)-17-(3-ethylpent-2-enyl)-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

339.25623 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.263506 187.6
[M+Na]+ 362.245448 189.8
[M-H]- 338.248954 188.5
[M+NH4]+ 357.290053 203.2
[M+K]+ 378.219388 183.1
[M+H-H2O]+ 322.253490 177.9
[M+HCOO]- 384.254431 194.8
[M+CH3COO]- 398.270081 194.1
[M+Na-2H]- 360.230896 187.8
[M]+ 339.25568142 180.6
[M]- 339.25677858 180.6
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.