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]+ 227.08151 147.8
[M+Na]+ 249.06345 156.1
[M-H]- 225.06695 147.8
[M+NH4]+ 244.10805 163.7
[M+K]+ 265.03739 150.7
[M+H-H2O]+ 209.07149 140.1
[M+HCOO]- 271.07243 163.1
[M+CH3COO]- 285.08808 158.7
[M+Na-2H]- 247.04890 155.9
[M]+ 226.07368 144.9
[M]- 226.07478 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.