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

6
Patents

262.11063 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 159.9
[M+Na]+ 285.09985 174.0
[M-H]- 261.10335 164.3
[M+NH4]+ 280.14445 179.2
[M+K]+ 301.07379 166.9
[M+H-H2O]+ 245.10789 152.2
[M+HCOO]- 307.10883 180.6
[M+CH3COO]- 321.12448 173.3
[M+Na-2H]- 283.08530 167.7
[M]+ 262.11008 165.0
[M]- 262.11118 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.