CID 120266

Griseoluteic acid

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₄

SMILES

COC1=CC=C(C2=NC3=CC=CC(=C3N=C12)C(=O)O)CO

InChI

InChI=1S/C15H12N2O4/c1-21-11-6-5-8(7-18)12-14(11)17-13-9(15(19)20)3-2-4-10(13)16-12/h2-6,18H,7H2,1H3,(H,19,20)

InChIKey

TVCSLGBWHLPONF-UHFFFAOYSA-N

Compound name

6-(hydroxymethyl)-9-methoxyphenazine-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 284.0797 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.08698	162.0
[M+Na]+	307.06892	172.8
[M-H]-	283.07242	163.2
[M+NH4]+	302.11352	176.1
[M+K]+	323.04286	168.2
[M+H-H2O]+	267.07696	153.9
[M+HCOO]-	329.07790	179.7
[M+CH3COO]-	343.09355	198.1
[M+Na-2H]-	305.05437	169.6
[M]+	284.07915	166.2
[M]-	284.08025	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe