CID 72512

9-methoxyellipticine

Structural Information

Molecular Formula
C18H16N2O
SMILES
CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C
InChI
InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
InChIKey
BKRMCDAOAQWNTG-UHFFFAOYSA-N
Compound name
9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

106
Patents

276.12625 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 163.9
[M+Na]+ 299.11547 182.2
[M+NH4]+ 294.16007 173.8
[M+K]+ 315.08941 174.5
[M-H]- 275.11897 167.8
[M+Na-2H]- 297.10092 171.2
[M]+ 276.12570 168.0
[M]- 276.12680 168.0
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

patents stripe