CID 193025

Phenazine-1,6-dicarboxylate

Structural Information

Molecular Formula
C14H8N2O4
SMILES
C1=CC(=C2C(=C1)N=C3C(=N2)C=CC=C3C(=O)O)C(=O)O
InChI
InChI=1S/C14H8N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-6H,(H,17,18)(H,19,20)
InChIKey
MJALVONLCNWZHK-UHFFFAOYSA-N
Compound name
phenazine-1,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

86
Patents

268.0484 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05568 156.4
[M+Na]+ 291.03762 171.3
[M+NH4]+ 286.08222 163.0
[M+K]+ 307.01156 166.0
[M-H]- 267.04112 156.9
[M+Na-2H]- 289.02307 162.2
[M]+ 268.04785 158.6
[M]- 268.04895 158.6
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