CID 56840969

69353-21-5

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

0
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]+ 288.15941 177.9
[M+Na]+ 310.14135 182.7
[M-H]- 286.14485 179.2
[M+NH4]+ 305.18595 185.9
[M+K]+ 326.11529 181.9
[M+H-H2O]+ 270.14939 173.4
[M+HCOO]- 332.15033 183.0
[M+CH3COO]- 346.16598 181.1
[M+Na-2H]- 308.12680 175.7
[M]+ 287.15158 178.1
[M]- 287.15268 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.