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]+ 271.071336 157.6
[M+Na]+ 293.053278 165.1
[M-H]- 269.056784 155.2
[M+NH4]+ 288.097883 170.2
[M+K]+ 309.027218 159.4
[M+H-H2O]+ 253.061320 150.6
[M+HCOO]- 315.062261 169.0
[M+CH3COO]- 329.077911 166.8
[M+Na-2H]- 291.038726 162.7
[M]+ 270.06351142 153.5
[M]- 270.06460858 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.