CID 5486101

63732-78-5

Structural Information

Molecular Formula
C18H25NO
SMILES
CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C18H25NO/c1-2-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20)12-16(13)18/h6-7,12,15,17,20H,2-5,8-11H2,1H3/t15-,17+,18+/m0/s1
InChIKey
JAHXBUXBMVKFHR-CGTJXYLNSA-N
Compound name
(1R,9R,10R)-17-ethyl-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

1
Patents

271.1936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 166.3
[M+Na]+ 294.182818 170.8
[M-H]- 270.186324 168.3
[M+NH4]+ 289.227423 184.9
[M+K]+ 310.156758 165.2
[M+H-H2O]+ 254.190860 157.2
[M+HCOO]- 316.191801 176.2
[M+CH3COO]- 330.207451 175.1
[M+Na-2H]- 292.168266 170.4
[M]+ 271.19305142 159.2
[M]- 271.19414858 159.2
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

patents stripe