CID 1388693

444771-51-1

Structural Information

Molecular Formula
C20H17Cl2N3O5
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H17Cl2N3O5/c1-2-29-18(27)10-25-15-6-4-3-5-13(15)19(20(25)28)24-23-17(26)11-30-16-8-7-12(21)9-14(16)22/h3-9,28H,2,10-11H2,1H3
InChIKey
LEGUYBRAARGLCI-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[[2-(2,4-dichlorophenoxy)acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.05453 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.06181 201.0
[M+Na]+ 472.04375 211.0
[M-H]- 448.04725 209.1
[M+NH4]+ 467.08835 213.3
[M+K]+ 488.01769 206.0
[M+H-H2O]+ 432.05179 193.1
[M+HCOO]- 494.05273 217.3
[M+CH3COO]- 508.06838 233.4
[M+Na-2H]- 470.02920 202.2
[M]+ 449.05398 213.2
[M]- 449.05508 213.2
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.