CID 119058162

(1r)-1,4,5,10-tetrahydrophenazine-1-carboxylate

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1C=C[C@H](C2=C1NC3=CC=CC=C3N2)C(=O)O
InChI
InChI=1S/C13H12N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-6,8,14-15H,7H2,(H,16,17)/t8-/m1/s1
InChIKey
WGOVWFNMPRCMBJ-MRVPVSSYSA-N
Compound name
(1R)-1,4,5,10-tetrahydrophenazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

228.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 149.2
[M+Na]+ 251.07909 156.1
[M-H]- 227.08259 147.5
[M+NH4]+ 246.12369 164.3
[M+K]+ 267.05303 150.2
[M+H-H2O]+ 211.08713 141.9
[M+HCOO]- 273.08807 161.6
[M+CH3COO]- 287.10372 159.0
[M+Na-2H]- 249.06454 155.9
[M]+ 228.08932 143.1
[M]- 228.09042 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.