CID 66531

2-hydroxybenzo[a]carbazole-3-carboxylic acid sodium salt

Structural Information

Molecular Formula
C17H11NO3
SMILES
C1=CC=C2C(=C1)C3=C(N2)C4=CC(=C(C=C4C=C3)C(=O)O)O
InChI
InChI=1S/C17H11NO3/c19-15-8-12-9(7-13(15)17(20)21)5-6-11-10-3-1-2-4-14(10)18-16(11)12/h1-8,18-19H,(H,20,21)
InChIKey
ONMDNQFBIVCMAS-UHFFFAOYSA-N
Compound name
2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

277.07388 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08116 159.2
[M+Na]+ 300.06310 171.1
[M-H]- 276.06660 162.2
[M+NH4]+ 295.10770 177.2
[M+K]+ 316.03704 164.1
[M+H-H2O]+ 260.07114 153.0
[M+HCOO]- 322.07208 177.9
[M+CH3COO]- 336.08773 171.4
[M+Na-2H]- 298.04855 166.4
[M]+ 277.07333 161.6
[M]- 277.07443 161.6
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.