CID 14133

1,3-diamino-5-methylphenazinium chloride

Structural Information

Molecular Formula
C13H13N4
SMILES
C[N+]1=C2C=C(C=C(C2=NC3=CC=CC=C31)N)N
InChI
InChI=1S/C13H12N4/c1-17-11-5-3-2-4-10(11)16-13-9(15)6-8(14)7-12(13)17/h2-7H,1H3,(H3,14,15)/p+1
InChIKey
KRAWUEPNKYPATF-UHFFFAOYSA-O
Compound name
5-methylphenazin-5-ium-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

225.11403 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12131 149.1
[M+Na]+ 248.10325 160.5
[M-H]- 224.10675 152.6
[M+NH4]+ 243.14785 166.2
[M+K]+ 264.07719 149.2
[M+H-H2O]+ 208.11129 143.8
[M+HCOO]- 270.11223 171.2
[M+CH3COO]- 284.12788 190.1
[M+Na-2H]- 246.08870 161.1
[M]+ 225.11348 147.7
[M]- 225.11458 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

No literature data available for this compound.

Patent stripe

patents stripe