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

16
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 176.0
[M+Na]+ 367.09005 184.4
[M-H]- 343.09355 175.5
[M+NH4]+ 362.13465 186.5
[M+K]+ 383.06399 180.9
[M+H-H2O]+ 327.09809 167.5
[M+HCOO]- 389.09903 190.7
[M+CH3COO]- 403.11468 207.4
[M+Na-2H]- 365.07550 181.3
[M]+ 344.10028 181.3
[M]- 344.10138 181.3
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.