CID 3085801

72379-46-5

Structural Information

Molecular Formula
C19H25BrN7O4
SMILES
CCN(CC[N+](C)(C)N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])C
InChI
InChI=1S/C19H25BrN7O4/c1-5-24(8-9-27(3,4)21)14-6-7-17(13(2)10-14)22-23-19-16(20)11-15(25(28)29)12-18(19)26(30)31/h6-7,10-12H,5,8-9,21H2,1-4H3/q+1
InChIKey
BYALDCNGHKSDSR-UHFFFAOYSA-N
Compound name
amino-[2-[4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.11514 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.12242 215.4
[M+Na]+ 517.10436 218.9
[M+NH4]+ 512.14896 221.5
[M+K]+ 533.07830 223.6
[M-H]- 493.10786 211.8
[M+Na-2H]- 515.08981 209.1
[M]+ 494.11459 216.3
[M]- 494.11569 216.3
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

No patent data available for this compound.