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

5
Patents

248.09496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 154.7
[M+Na]+ 271.08418 172.6
[M+NH4]+ 266.12878 164.6
[M+K]+ 287.05812 165.4
[M-H]- 247.08768 158.1
[M+Na-2H]- 269.06963 162.2
[M]+ 248.09441 158.5
[M]- 248.09551 158.5
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