CID 5486097

63732-70-7

Structural Information

Molecular Formula
C18H25NO
SMILES
CC1=CC2=C(C=C1O)[C@@]34CCCC[C@H]3[C@@H](C2)N(CC4)C
InChI
InChI=1S/C18H25NO/c1-12-9-13-10-16-14-5-3-4-6-18(14,7-8-19(16)2)15(13)11-17(12)20/h9,11,14,16,20H,3-8,10H2,1-2H3/t14-,16+,18+/m0/s1
InChIKey
ACJZLXNNKHMBHC-YXJHDRRASA-N
Compound name
(1R,9R,10R)-5,17-dimethyl-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 167.2
[M+Na]+ 294.18282 180.3
[M+NH4]+ 289.22742 179.1
[M+K]+ 310.15676 169.7
[M-H]- 270.18632 171.3
[M+Na-2H]- 292.16827 171.9
[M]+ 271.19305 170.5
[M]- 271.19415 170.5
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.