CID 119058153

5,10-dihydrophenazine-1,6-dicarboxylate

Structural Information

Molecular Formula
C14H10N2O4
SMILES
C1=CC(=C2C(=C1)NC3=C(C=CC=C3N2)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/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKey
NIZJSPFBUVJPIU-UHFFFAOYSA-N
Compound name
5,10-dihydrophenazine-1,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

270.06406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07134 157.6
[M+Na]+ 293.05328 165.1
[M-H]- 269.05678 155.2
[M+NH4]+ 288.09788 170.2
[M+K]+ 309.02722 159.4
[M+H-H2O]+ 253.06132 150.6
[M+HCOO]- 315.06226 169.0
[M+CH3COO]- 329.07791 166.8
[M+Na-2H]- 291.03873 162.7
[M]+ 270.06351 153.5
[M]- 270.06461 153.5
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.