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]+ 273.086976 158.5
[M+Na]+ 295.068918 165.4
[M-H]- 271.072424 156.9
[M+NH4]+ 290.113523 171.6
[M+K]+ 311.042858 160.6
[M+H-H2O]+ 255.076960 151.0
[M+HCOO]- 317.077901 169.9
[M+CH3COO]- 331.093551 192.9
[M+Na-2H]- 293.054366 162.9
[M]+ 272.07915142 154.7
[M]- 272.08024858 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.