CID 3039143

5-(2-hydroxyethyl)-3-methoxyphenazinium chloride

Structural Information

Molecular Formula
C15H15N2O2
SMILES
COC1=CC2=[N+](C3=CC=CC=C3N=C2C=C1)CCO
InChI
InChI=1S/C15H15N2O2/c1-19-11-6-7-13-15(10-11)17(8-9-18)14-5-3-2-4-12(14)16-13/h2-7,10,18H,8-9H2,1H3/q+1
InChIKey
KMZCQARSGOWMCC-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenazin-5-ium-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11336 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12064 158.8
[M+Na]+ 278.10258 169.2
[M-H]- 254.10608 161.1
[M+NH4]+ 273.14718 174.5
[M+K]+ 294.07652 158.5
[M+H-H2O]+ 238.11062 152.9
[M+HCOO]- 300.11156 178.1
[M+CH3COO]- 314.12721 188.1
[M+Na-2H]- 276.08803 170.7
[M]+ 255.11281 161.5
[M]- 255.11391 161.5
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.