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]+ 272.20088 166.3
[M+Na]+ 294.18282 170.8
[M-H]- 270.18632 168.3
[M+NH4]+ 289.22742 184.9
[M+K]+ 310.15676 165.2
[M+H-H2O]+ 254.19086 157.2
[M+HCOO]- 316.19180 176.2
[M+CH3COO]- 330.20745 175.1
[M+Na-2H]- 292.16827 170.4
[M]+ 271.19305 159.2
[M]- 271.19415 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