CID 78353

4608-12-2

Structural Information

Molecular Formula
C28H27N6
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=C4C=CC(=CC4=[N+]3C5=CC=CC=C5)N(C)C
InChI
InChI=1S/C28H27N6/c1-32(2)22-13-10-20(11-14-22)30-31-21-12-16-25-27(18-21)34(23-8-6-5-7-9-23)28-19-24(33(3)4)15-17-26(28)29-25/h5-19H,1-4H3/q+1
InChIKey
DXURQOFTMOXCJG-UHFFFAOYSA-N
Compound name
8-[[4-(dimethylamino)phenyl]diazenyl]-N,N-dimethyl-10-phenylphenazin-10-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

447.2297 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.23698 209.6
[M+Na]+ 470.21892 229.7
[M+NH4]+ 465.26352 219.6
[M+K]+ 486.19286 218.8
[M-H]- 446.22242 222.9
[M+Na-2H]- 468.20437 224.0
[M]+ 447.22915 217.0
[M]- 447.23025 217.0
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