CID 218574

1,5-dimethylphenazinium methyl sulfate

Structural Information

Molecular Formula
C14H13N2
SMILES
CC1=CC=CC2=[N+](C3=CC=CC=C3N=C12)C
InChI
InChI=1S/C14H13N2/c1-10-6-5-9-13-14(10)15-11-7-3-4-8-12(11)16(13)2/h3-9H,1-2H3/q+1
InChIKey
KHFQFKTXXWPPPN-UHFFFAOYSA-N
Compound name
1,5-dimethylphenazin-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 146.8
[M+Na]+ 232.09710 158.5
[M-H]- 208.10060 150.7
[M+NH4]+ 227.14170 165.3
[M+K]+ 248.07104 147.7
[M+H-H2O]+ 192.10514 141.3
[M+HCOO]- 254.10608 167.7
[M+CH3COO]- 268.12173 183.7
[M+Na-2H]- 230.08255 159.6
[M]+ 209.10733 148.2
[M]- 209.10843 148.2
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

patents stripe