CID 5492909

7239-92-1

Structural Information

Molecular Formula
C18H25NO3
SMILES
CN1CC[C@]23CCCC[C@]2([C@H]1CC4=C3C(=C(C=C4)OC)O)O
InChI
InChI=1S/C18H25NO3/c1-19-10-9-17-7-3-4-8-18(17,21)14(19)11-12-5-6-13(22-2)16(20)15(12)17/h5-6,14,20-21H,3-4,7-11H2,1-2H3/t14-,17+,18-/m1/s1
InChIKey
SVKQEADHBGJMJB-FHLIZLRMSA-N
Compound name
(1S,9R,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-3,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 173.6
[M+Na]+ 326.17266 185.1
[M+NH4]+ 321.21726 185.4
[M+K]+ 342.14660 174.2
[M-H]- 302.17616 176.1
[M+Na-2H]- 324.15811 178.3
[M]+ 303.18289 176.2
[M]- 303.18399 176.2
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

No patent data available for this compound.