CID 3039145

3-ethoxy-5-ethylphenazinium ethyl sulfate

Structural Information

Molecular Formula
C16H17N2O
SMILES
CC[N+]1=C2C=C(C=CC2=NC3=CC=CC=C31)OCC
InChI
InChI=1S/C16H17N2O/c1-3-18-15-8-6-5-7-13(15)17-14-10-9-12(19-4-2)11-16(14)18/h5-11H,3-4H2,1-2H3/q+1
InChIKey
ZDLUXFDALMSDLV-UHFFFAOYSA-N
Compound name
2-ethoxy-10-ethylphenazin-10-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1341 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14138 160.2
[M+Na]+ 276.12332 170.8
[M-H]- 252.12682 163.7
[M+NH4]+ 271.16792 176.8
[M+K]+ 292.09726 160.2
[M+H-H2O]+ 236.13136 154.0
[M+HCOO]- 298.13230 180.5
[M+CH3COO]- 312.14795 191.6
[M+Na-2H]- 274.10877 171.9
[M]+ 253.13355 163.7
[M]- 253.13465 163.7
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.