CID 91643

9-hydroxyellipticine

Structural Information

Molecular Formula
C17H14N2O
SMILES
CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C
InChI
InChI=1S/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3
InChIKey
QZTWUDDGLIDXSE-UHFFFAOYSA-N
Compound name
5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

86
References

418
Patents

262.11063 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 159.8
[M+Na]+ 285.099848 173.5
[M-H]- 261.103354 162.9
[M+NH4]+ 280.144453 178.5
[M+K]+ 301.073788 165.7
[M+H-H2O]+ 245.107890 152.6
[M+HCOO]- 307.108831 179.1
[M+CH3COO]- 321.124481 172.6
[M+Na-2H]- 283.085296 167.3
[M]+ 262.11008142 163.3
[M]- 262.11117858 163.3
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