CID 315033

Ellipticine n-oxide

Structural Information

Molecular Formula
C17H14N2O
SMILES
CC1=C2C=CN(C=C2C(=C3C1=NC4=CC=CC=C43)C)O
InChI
InChI=1S/C17H14N2O/c1-10-14-9-19(20)8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)18-17/h3-9,20H,1-2H3
InChIKey
DNDAFFBIWNXNJB-UHFFFAOYSA-N
Compound name
2-hydroxy-5,11-dimethylpyrido[4,3-b]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

262.11063 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 159.9
[M+Na]+ 285.099848 174.0
[M-H]- 261.103354 164.3
[M+NH4]+ 280.144453 179.2
[M+K]+ 301.073788 166.9
[M+H-H2O]+ 245.107890 152.2
[M+HCOO]- 307.108831 180.6
[M+CH3COO]- 321.124481 173.3
[M+Na-2H]- 283.085296 167.7
[M]+ 262.11008142 165.0
[M]- 262.11117858 165.0
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