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

17
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 145.2
[M+Na]+ 248.10325 163.3
[M+NH4]+ 243.14785 155.6
[M+K]+ 264.07719 156.0
[M-H]- 224.10675 151.6
[M+Na-2H]- 246.08870 154.6
[M]+ 225.11348 150.1
[M]- 225.11458 150.1
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