CID 105523

Einecs 266-862-7

Structural Information

Molecular Formula
C17H19Cl2N3O
SMILES
CCN(CCO)C1=CC(=C(C=C1)N=NC2=C(C=CC(=C2)Cl)Cl)C
InChI
InChI=1S/C17H19Cl2N3O/c1-3-22(8-9-23)14-5-7-16(12(2)10-14)20-21-17-11-13(18)4-6-15(17)19/h4-7,10-11,23H,3,8-9H2,1-2H3
InChIKey
LPTYKUABXWKEEE-UHFFFAOYSA-N
Compound name
2-[4-[(2,5-dichlorophenyl)diazenyl]-N-ethyl-3-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

351.0905 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.097776 183.7
[M+Na]+ 374.079718 192.2
[M-H]- 350.083224 192.4
[M+NH4]+ 369.124323 199.1
[M+K]+ 390.053658 186.6
[M+H-H2O]+ 334.087760 176.2
[M+HCOO]- 396.088701 202.7
[M+CH3COO]- 410.104351 224.5
[M+Na-2H]- 372.065166 186.4
[M]+ 351.08995142 190.7
[M]- 351.09104858 190.7
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.