CID 135452479

Myxin

Structural Information

Molecular Formula
C13H10N2O4
SMILES
COC1=CC=CC2=[N+](C3=C(C=CC=C3O)[N+](=C21)[O-])[O-]
InChI
InChI=1S/C13H10N2O4/c1-19-11-7-3-5-9-13(11)15(18)8-4-2-6-10(16)12(8)14(9)17/h2-7,16H,1H3
InChIKey
JIDVGUQUQSOHOL-UHFFFAOYSA-N
Compound name
6-methoxy-5,10-dioxidophenazine-5,10-diium-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

45207
Patents

258.06406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 156.9
[M+Na]+ 281.05328 167.0
[M-H]- 257.05678 157.3
[M+NH4]+ 276.09788 170.3
[M+K]+ 297.02722 152.9
[M+H-H2O]+ 241.06132 158.1
[M+HCOO]- 303.06226 174.7
[M+CH3COO]- 317.07791 177.5
[M+Na-2H]- 279.03873 169.1
[M]+ 258.06351 155.8
[M]- 258.06461 155.8
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