CID 56840969

Dtxsid701015685

Structural Information

Molecular Formula
C17H21NO3
SMILES
CN1CCC2=CC(CC3C2C4=C(C1)C=CC(=C4O3)OC)O
InChI
InChI=1S/C17H21NO3/c1-18-6-5-10-7-12(19)8-14-15(10)16-11(9-18)3-4-13(20-2)17(16)21-14/h3-4,7,12,14-15,19H,5-6,8-9H2,1-2H3
InChIKey
FFQKTDKDUHFQKE-UHFFFAOYSA-N
Compound name
2-methoxy-7-methyl-17-oxa-7-azatetracyclo[12.2.1.05,16.010,15]heptadeca-1,3,5(16),10-tetraen-12-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

287.15213 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 177.9
[M+Na]+ 310.141348 182.7
[M-H]- 286.144854 179.2
[M+NH4]+ 305.185953 185.9
[M+K]+ 326.115288 181.9
[M+H-H2O]+ 270.149390 173.4
[M+HCOO]- 332.150331 183.0
[M+CH3COO]- 346.165981 181.1
[M+Na-2H]- 308.126796 175.7
[M]+ 287.15158142 178.1
[M]- 287.15267858 178.1
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.