CID 218572

3-methoxy-5-methylphenazinium methyl sulfate

Structural Information

Molecular Formula
C14H13N2O
SMILES
C[N+]1=C2C=C(C=CC2=NC3=CC=CC=C31)OC
InChI
InChI=1S/C14H13N2O/c1-16-13-6-4-3-5-11(13)15-12-8-7-10(17-2)9-14(12)16/h3-9H,1-2H3/q+1
InChIKey
LNBOMZZQVCWOLK-UHFFFAOYSA-N
Compound name
2-methoxy-10-methylphenazin-10-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.10278 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.11006 150.5
[M+Na]+ 248.09200 162.0
[M-H]- 224.09550 154.4
[M+NH4]+ 243.13660 168.3
[M+K]+ 264.06594 151.9
[M+H-H2O]+ 208.10004 144.8
[M+HCOO]- 270.10098 171.6
[M+CH3COO]- 284.11663 185.7
[M+Na-2H]- 246.07745 163.3
[M]+ 225.10223 153.4
[M]- 225.10333 153.4
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.