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 172.0
[M+Na]+ 310.14135 175.7
[M+NH4]+ 305.18595 174.7
[M+K]+ 326.11529 174.2
[M-H]- 286.14485 172.8
[M+Na-2H]- 308.12680 172.0
[M]+ 287.15158 172.7
[M]- 287.15268 172.7
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.