CID 362951

Liriodendronine 2-o-methyl ether

Structural Information

Molecular Formula
C17H11NO3
SMILES
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC=CC=C42)O
InChI
InChI=1S/C17H11NO3/c1-21-12-8-9-6-7-18-15-13(9)14(17(12)20)10-4-2-3-5-11(10)16(15)19/h2-8,20H,1H3
InChIKey
TYPNWOPNOODJLW-UHFFFAOYSA-N
Compound name
16-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.07388 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08116 160.8
[M+Na]+ 300.06310 171.6
[M-H]- 276.06660 164.5
[M+NH4]+ 295.10770 178.5
[M+K]+ 316.03704 166.3
[M+H-H2O]+ 260.07114 152.5
[M+HCOO]- 322.07208 178.2
[M+CH3COO]- 336.08773 172.8
[M+Na-2H]- 298.04855 169.4
[M]+ 277.07333 164.1
[M]- 277.07443 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.