CID 76124

Janus green b

Structural Information

Molecular Formula
C30H31N6
SMILES
CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(C)C)N=C2C=C1)C5=CC=CC=C5
InChI
InChI=1S/C30H31N6/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4/h7-21H,5-6H2,1-4H3/q+1
InChIKey
TYOFQDFFFPHHNT-UHFFFAOYSA-N
Compound name
8-[[4-(dimethylamino)phenyl]diazenyl]-N,N-diethyl-10-phenylphenazin-10-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

39
References

3131
Patents

475.26102 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.26830 223.6
[M+Na]+ 498.25024 229.0
[M-H]- 474.25374 236.5
[M+NH4]+ 493.29484 230.6
[M+K]+ 514.22418 217.7
[M+H-H2O]+ 458.25828 210.4
[M+HCOO]- 520.25922 248.1
[M+CH3COO]- 534.27487 253.6
[M+Na-2H]- 496.23569 232.7
[M]+ 475.26047 227.5
[M]- 475.26157 227.5
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