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

71
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 160.5
[M+Na]+ 300.06310 176.5
[M+NH4]+ 295.10770 169.2
[M+K]+ 316.03704 170.9
[M-H]- 276.06660 162.8
[M+Na-2H]- 298.04855 166.3
[M]+ 277.07333 163.5
[M]- 277.07443 163.5
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