CID 149587

9-hydroxy-11-demethylellipticine

Structural Information

Molecular Formula
C16H12N2O
SMILES
CC1=C2C=CN=CC2=CC3=C1NC4=C3C=C(C=C4)O
InChI
InChI=1S/C16H12N2O/c1-9-12-4-5-17-8-10(12)6-14-13-7-11(19)2-3-15(13)18-16(9)14/h2-8,18-19H,1H3
InChIKey
JYUPGHDIRBJNOV-UHFFFAOYSA-N
Compound name
5-methyl-6H-pyrido[4,3-b]carbazol-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

248.09496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.102236 154.3
[M+Na]+ 271.084178 167.6
[M-H]- 247.087684 157.2
[M+NH4]+ 266.128783 173.2
[M+K]+ 287.058118 160.0
[M+H-H2O]+ 231.092220 147.1
[M+HCOO]- 293.093161 174.0
[M+CH3COO]- 307.108811 167.3
[M+Na-2H]- 269.069626 163.2
[M]+ 248.09441142 157.0
[M]- 248.09550858 157.0
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

patents stripe