CID 5746788

105092-02-2

Structural Information

Molecular Formula
C20H27NO4
SMILES
CCOC1=C(C2=C(C[C@@H]3[C@]4([C@]2(CCN3C)CC(=O)CC4)O)C=C1)OC
InChI
InChI=1S/C20H27NO4/c1-4-25-15-6-5-13-11-16-20(23)8-7-14(22)12-19(20,9-10-21(16)2)17(13)18(15)24-3/h5-6,16,23H,4,7-12H2,1-3H3/t16-,19-,20-/m1/s1
InChIKey
NAUDBLLLYYHPLG-NSISKUIASA-N
Compound name
(1R,9R,10S)-4-ethoxy-10-hydroxy-3-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.194 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 183.8
[M+Na]+ 368.18322 195.4
[M+NH4]+ 363.22782 194.7
[M+K]+ 384.15716 184.4
[M-H]- 344.18672 186.0
[M+Na-2H]- 366.16867 188.0
[M]+ 345.19345 186.4
[M]- 345.19455 186.4
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.