CID 119058151

(5as)-5,5a-dihydrophenazine-1,6-dicarboxylate

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC2=NC3=C(C=CC=C3N[C@H]2C(=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C14H10N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6,11,16H,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKey
INPMVLIHPFWVLB-NSHDSACASA-N
Compound name
(5aS)-5,5a-dihydrophenazine-1,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

270.06406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 158.5
[M+Na]+ 293.05328 171.0
[M+NH4]+ 288.09788 164.7
[M+K]+ 309.02722 166.5
[M-H]- 269.05678 158.1
[M+Na-2H]- 291.03873 162.0
[M]+ 270.06351 159.9
[M]- 270.06461 159.9
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

No patent data available for this compound.