CID 82689

5-ethylphenazine methyl sulfate

Structural Information

Molecular Formula
C14H13N2
SMILES
CC[N+]1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C14H13N2/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16/h3-10H,2H2,1H3/q+1
InChIKey
LFCGYFQNFRGNKL-UHFFFAOYSA-N
Compound name
5-ethylphenazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

209.10788 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11516 146.6
[M+Na]+ 232.09710 157.4
[M-H]- 208.10060 150.1
[M+NH4]+ 227.14170 164.9
[M+K]+ 248.07104 146.6
[M+H-H2O]+ 192.10514 140.9
[M+HCOO]- 254.10608 167.5
[M+CH3COO]- 268.12173 182.6
[M+Na-2H]- 230.08255 160.2
[M]+ 209.10733 147.7
[M]- 209.10843 147.7
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