CID 3047245

9-methoxy-11-demethylellipticine

Structural Information

Molecular Formula
C17H14N2O
SMILES
CC1=C2C=CN=CC2=CC3=C1NC4=C3C=C(C=C4)OC
InChI
InChI=1S/C17H14N2O/c1-10-13-5-6-18-9-11(13)7-15-14-8-12(20-2)3-4-16(14)19-17(10)15/h3-9,19H,1-2H3
InChIKey
ROVDPQRCXXRNIK-UHFFFAOYSA-N
Compound name
9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

262.11063 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 159.2
[M+Na]+ 285.099848 172.4
[M-H]- 261.103354 163.2
[M+NH4]+ 280.144453 178.2
[M+K]+ 301.073788 165.3
[M+H-H2O]+ 245.107890 151.3
[M+HCOO]- 307.108831 180.0
[M+CH3COO]- 321.124481 172.3
[M+Na-2H]- 283.085296 167.7
[M]+ 262.11008142 163.9
[M]- 262.11117858 163.9
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