CID 119058160

(10as)-10,10a-dihydrophenazine-1-carboxylate

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC=C2C(=C1)N[C@@H]3C(=N2)C=CC=C3C(=O)O
InChI
InChI=1S/C13H10N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7,12,15H,(H,16,17)/t12-/m0/s1
InChIKey
XMQOCNWUNJVNBJ-LBPRGKRZSA-N
Compound name
(10aS)-10,10a-dihydrophenazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

226.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.081506 147.8
[M+Na]+ 249.063448 156.1
[M-H]- 225.066954 147.8
[M+NH4]+ 244.108053 163.7
[M+K]+ 265.037388 150.7
[M+H-H2O]+ 209.071490 140.1
[M+HCOO]- 271.072431 163.1
[M+CH3COO]- 285.088081 158.7
[M+Na-2H]- 247.048896 155.9
[M]+ 226.07368142 144.9
[M]- 226.07477858 144.9
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.