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]+ 249.10224 154.3
[M+Na]+ 271.08418 167.6
[M-H]- 247.08768 157.2
[M+NH4]+ 266.12878 173.2
[M+K]+ 287.05812 160.0
[M+H-H2O]+ 231.09222 147.1
[M+HCOO]- 293.09316 174.0
[M+CH3COO]- 307.10881 167.3
[M+Na-2H]- 269.06963 163.2
[M]+ 248.09441 157.0
[M]- 248.09551 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