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 182.7
[M+Na]+ 368.18322 189.1
[M-H]- 344.18672 185.3
[M+NH4]+ 363.22782 200.6
[M+K]+ 384.15716 185.0
[M+H-H2O]+ 328.19126 173.7
[M+HCOO]- 390.19220 192.4
[M+CH3COO]- 404.20785 213.5
[M+Na-2H]- 366.16867 186.3
[M]+ 345.19345 181.4
[M]- 345.19455 181.4
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.