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

40
References

3135
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

literature stripe

Patent stripe

patents stripe