CID 159640

Griseolutein b

Structural Information

Molecular Formula
C17H16N2O6
SMILES
COC1=CC=C(C2=NC3=CC=CC(=C3N=C12)C(=O)O)COC(CO)O
InChI
InChI=1S/C17H16N2O6/c1-24-12-6-5-9(8-25-13(21)7-20)14-16(12)19-15-10(17(22)23)3-2-4-11(15)18-14/h2-6,13,20-21H,7-8H2,1H3,(H,22,23)
InChIKey
ZJHVCMQHJHPGMZ-UHFFFAOYSA-N
Compound name
6-(1,2-dihydroxyethoxymethyl)-9-methoxyphenazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

344.10083 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10811 177.7
[M+Na]+ 367.09005 190.7
[M+NH4]+ 362.13465 182.5
[M+K]+ 383.06399 186.3
[M-H]- 343.09355 176.9
[M+Na-2H]- 365.07550 181.0
[M]+ 344.10028 179.1
[M]- 344.10138 179.1
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