CID 193025

Phenazine-1,6-dicarboxylic acid

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

92
Patents

268.0484 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.055676 155.6
[M+Na]+ 291.037618 165.9
[M-H]- 267.041124 156.7
[M+NH4]+ 286.082223 169.8
[M+K]+ 307.011558 161.4
[M+H-H2O]+ 251.045660 147.7
[M+HCOO]- 313.046601 172.8
[M+CH3COO]- 327.062251 167.0
[M+Na-2H]- 289.023066 163.4
[M]+ 268.04785142 157.8
[M]- 268.04894858 157.8
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