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 159.6
[M+Na]+ 297.08459 165.5
[M-H]- 273.08809 157.7
[M+NH4]+ 292.12919 172.6
[M+K]+ 313.05853 161.0
[M+H-H2O]+ 257.09263 152.3
[M+HCOO]- 319.09357 169.6
[M+CH3COO]- 333.10922 193.3
[M+Na-2H]- 295.07004 163.1
[M]+ 274.09482 154.4
[M]- 274.09592 154.4
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.