CID 119058147

(1r,6r)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylate

Structural Information

Molecular Formula
C14H14N2O4
SMILES
C1C=C[C@H]([C@H]2C1=NC3=C(N2)CC=C[C@H]3C(=O)O)C(=O)O
InChI
InChI=1S/C14H14N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-4,7-8,11,16H,5-6H2,(H,17,18)(H,19,20)/t7-,8-,11+/m1/s1
InChIKey
MUDZFKKAMBPIJZ-XLDPMVHQSA-N
Compound name
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

274.09537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 160.7
[M+Na]+ 297.08459 171.3
[M+NH4]+ 292.12919 166.7
[M+K]+ 313.05853 167.2
[M-H]- 273.08809 159.8
[M+Na-2H]- 295.07004 162.3
[M]+ 274.09482 161.5
[M]- 274.09592 161.5
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.