CID 119050

Janus green

Structural Information

Molecular Formula
C26H23N6
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC3=[N+](C4=C(C=CC(=C4)N)N=C3C=C2)C5=CC=CC=C5
InChI
InChI=1S/C26H22N6/c1-31(2)21-12-9-19(10-13-21)29-30-20-11-15-24-26(17-20)32(22-6-4-3-5-7-22)25-16-18(27)8-14-23(25)28-24/h3-17,27H,1-2H3/p+1
InChIKey
CPPJVWFFGYGRLG-UHFFFAOYSA-O
Compound name
8-[[4-(dimethylamino)phenyl]diazenyl]-10-phenylphenazin-10-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

703
Patents

419.19843 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20571 204.7
[M+Na]+ 442.18765 212.2
[M-H]- 418.19115 216.9
[M+NH4]+ 437.23225 213.4
[M+K]+ 458.16159 200.0
[M+H-H2O]+ 402.19569 193.0
[M+HCOO]- 464.19663 229.8
[M+CH3COO]- 478.21228 213.7
[M+Na-2H]- 440.17310 216.0
[M]+ 419.19788 205.7
[M]- 419.19898 205.7
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