CID 104391

Einecs 258-322-4

Structural Information

Molecular Formula
C18H23Cl2N6O2
SMILES
CCN(CC[N+](C)(C)N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H23Cl2N6O2/c1-4-24(9-10-26(2,3)21)14-7-5-13(6-8-14)22-23-18-16(19)11-15(25(27)28)12-17(18)20/h5-8,11-12H,4,9-10,21H2,1-3H3/q+1
InChIKey
HQUMQLFAAYSCEB-UHFFFAOYSA-N
Compound name
amino-[2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.12595 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.13323 203.1
[M+Na]+ 448.11517 206.9
[M-H]- 424.11867 212.4
[M+NH4]+ 443.15977 213.8
[M+K]+ 464.08911 194.4
[M+H-H2O]+ 408.12321 201.6
[M+HCOO]- 470.12415 223.5
[M+CH3COO]- 484.13980 233.6
[M+Na-2H]- 446.10062 209.9
[M]+ 425.12540 206.3
[M]- 425.12650 206.3
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.