CID 3606343

624725-33-3

Structural Information

Molecular Formula
C22H21Cl2N3O5
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H21Cl2N3O5/c1-2-31-20(29)13-27-17-7-4-3-6-15(17)21(22(27)30)26-25-19(28)8-5-11-32-18-10-9-14(23)12-16(18)24/h3-4,6-7,9-10,12,30H,2,5,8,11,13H2,1H3
InChIKey
ZJAVYDBVEUTCTE-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[4-(2,4-dichlorophenoxy)butanoyldiazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.08582 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.09310 210.1
[M+Na]+ 500.07504 219.1
[M-H]- 476.07854 217.7
[M+NH4]+ 495.11964 221.2
[M+K]+ 516.04898 213.7
[M+H-H2O]+ 460.08308 201.7
[M+HCOO]- 522.08402 225.7
[M+CH3COO]- 536.09967 239.0
[M+Na-2H]- 498.06049 210.2
[M]+ 477.08527 222.9
[M]- 477.08637 222.9
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.