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

415
Patents

262.11063 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 159.8
[M+Na]+ 285.09985 173.5
[M-H]- 261.10335 162.9
[M+NH4]+ 280.14445 178.5
[M+K]+ 301.07379 165.7
[M+H-H2O]+ 245.10789 152.6
[M+HCOO]- 307.10883 179.1
[M+CH3COO]- 321.12448 172.6
[M+Na-2H]- 283.08530 167.3
[M]+ 262.11008 163.3
[M]- 262.11118 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.