CID 196985

Griseolutein a

Structural Information

Molecular Formula
C17H14N2O6
SMILES
COC1=CC=C(C2=NC3=CC=CC(=C3N=C12)C(=O)O)COC(=O)CO
InChI
InChI=1S/C17H14N2O6/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/h2-6,20H,7-8H2,1H3,(H,22,23)
InChIKey
LRNVPBRAXOLPTF-UHFFFAOYSA-N
Compound name
6-[(2-hydroxyacetyl)oxymethyl]-9-methoxyphenazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

342.08517 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09245 175.0
[M+Na]+ 365.07439 184.3
[M-H]- 341.07789 175.9
[M+NH4]+ 360.11899 186.3
[M+K]+ 381.04833 180.9
[M+H-H2O]+ 325.08243 166.2
[M+HCOO]- 387.08337 191.4
[M+CH3COO]- 401.09902 208.2
[M+Na-2H]- 363.05984 180.7
[M]+ 342.08462 181.3
[M]- 342.08572 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

literature stripe

Patent stripe

patents stripe