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]+ 340.26351 187.6
[M+Na]+ 362.24545 189.8
[M-H]- 338.24895 188.5
[M+NH4]+ 357.29005 203.2
[M+K]+ 378.21939 183.1
[M+H-H2O]+ 322.25349 177.9
[M+HCOO]- 384.25443 194.8
[M+CH3COO]- 398.27008 194.1
[M+Na-2H]- 360.23090 187.8
[M]+ 339.25568 180.6
[M]- 339.25678 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.