CID 5486105

63732-81-0

Structural Information

Molecular Formula
C23H35NO
SMILES
CCC(CC)CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C23H35NO/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/h8-9,16-17,20,22,25H,3-7,10-15H2,1-2H3/t20-,22+,23+/m0/s1
InChIKey
CKBGKJSCRBZFIE-MDNUFGMLSA-N
Compound name
(1R,9R,10R)-17-(3-ethylpentyl)-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

341.27185 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.27913 188.6
[M+Na]+ 364.26107 190.5
[M-H]- 340.26457 189.5
[M+NH4]+ 359.30567 204.2
[M+K]+ 380.23501 184.4
[M+H-H2O]+ 324.26911 178.8
[M+HCOO]- 386.27005 195.7
[M+CH3COO]- 400.28570 195.0
[M+Na-2H]- 362.24652 188.8
[M]+ 341.27130 182.4
[M]- 341.27240 182.4
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.