CID 9286

Phenazine methosulfate

Structural Information

Molecular Formula
C13H11N2
SMILES
C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C13H11N2/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15/h2-9H,1H3/q+1
InChIKey
KBZALDXXIMXRBJ-UHFFFAOYSA-N
Compound name
5-methylphenazin-5-ium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

725
References

15443
Patents

195.09222 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09950 141.7
[M+Na]+ 218.08144 153.0
[M-H]- 194.08494 145.5
[M+NH4]+ 213.12604 160.6
[M+K]+ 234.05538 142.5
[M+H-H2O]+ 178.08948 136.3
[M+HCOO]- 240.09042 163.0
[M+CH3COO]- 254.10607 179.7
[M+Na-2H]- 216.06689 155.9
[M]+ 195.09167 142.5
[M]- 195.09277 142.5
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

patents stripe