CID 218576

5-ethyl-3-(morpholinyl)phenazinium ethyl sulfate

Structural Information

Molecular Formula
C18H20N3O
SMILES
CC[N+]1=C2C=C(C=CC2=NC3=CC=CC=C31)N4CCOCC4
InChI
InChI=1S/C18H20N3O/c1-2-21-17-6-4-3-5-15(17)19-16-8-7-14(13-18(16)21)20-9-11-22-12-10-20/h3-8,13H,2,9-12H2,1H3/q+1
InChIKey
OOTAKAWMUSVDDT-UHFFFAOYSA-N
Compound name
4-(10-ethylphenazin-10-ium-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.16064 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16792 172.5
[M+Na]+ 317.14986 180.4
[M-H]- 293.15336 177.1
[M+NH4]+ 312.19446 183.7
[M+K]+ 333.12380 169.8
[M+H-H2O]+ 277.15790 163.4
[M+HCOO]- 339.15884 186.6
[M+CH3COO]- 353.17449 182.1
[M+Na-2H]- 315.13531 182.5
[M]+ 294.16009 170.5
[M]- 294.16119 170.5
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.