CID 3583405

624726-14-3

Structural Information

Molecular Formula
C18H13Cl2N3O4
SMILES
COC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H13Cl2N3O4/c1-27-15(24)9-23-14-5-3-2-4-12(14)16(18(23)26)21-22-17(25)11-7-6-10(19)8-13(11)20/h2-8,26H,9H2,1H3
InChIKey
XTSJZAKZUYVYFV-UHFFFAOYSA-N
Compound name
methyl 2-[3-[(2,4-dichlorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.02832 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.03560 188.2
[M+Na]+ 428.01754 202.6
[M+NH4]+ 423.06214 194.7
[M+K]+ 443.99148 197.0
[M-H]- 404.02104 191.8
[M+Na-2H]- 426.00299 194.8
[M]+ 405.02777 191.7
[M]- 405.02887 191.7
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.