CID 119058149

(1r,10as)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylate

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1C=C[C@H]([C@H]2C1=NC3=C(C=CC=C3N2)C(=O)O)C(=O)O
InChI
InChI=1S/C14H12N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-5,8,12,15H,6H2,(H,17,18)(H,19,20)/t8-,12+/m1/s1
InChIKey
CUYPWOPOBAHCCE-PELKAZGASA-N
Compound name
(1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

272.0797 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 158.5
[M+Na]+ 295.06892 165.4
[M-H]- 271.07242 156.9
[M+NH4]+ 290.11352 171.6
[M+K]+ 311.04286 160.6
[M+H-H2O]+ 255.07696 151.0
[M+HCOO]- 317.07790 169.9
[M+CH3COO]- 331.09355 192.9
[M+Na-2H]- 293.05437 162.9
[M]+ 272.07915 154.7
[M]- 272.08025 154.7
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.