CID 3053630

Mrz 2549

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC1[C@@H]2CC3=C([C@]1(CCN2C[C@H](C)OC)C)C=C(C=C3)O
InChI
InChI=1S/C18H27NO2/c1-12(21-4)11-19-8-7-18(3)13(2)17(19)9-14-5-6-15(20)10-16(14)18/h5-6,10,12-13,17,20H,7-9,11H2,1-4H3/t12-,13?,17-,18-/m0/s1
InChIKey
OYOSCGNGSBDVQJ-NGDOGKGHSA-N
Compound name
(1S,9S)-10-[(2S)-2-methoxypropyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1
Patents

289.2042 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 171.4
[M+Na]+ 312.19342 183.3
[M+NH4]+ 307.23802 181.7
[M+K]+ 328.16736 174.0
[M-H]- 288.19692 172.9
[M+Na-2H]- 310.17887 174.4
[M]+ 289.20365 173.7
[M]- 289.20475 173.7
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.