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 190.3
[M+Na]+ 428.01754 201.5
[M-H]- 404.02104 198.7
[M+NH4]+ 423.06214 204.5
[M+K]+ 443.99148 196.1
[M+H-H2O]+ 388.02558 182.9
[M+HCOO]- 450.02652 207.1
[M+CH3COO]- 464.04217 225.5
[M+Na-2H]- 426.00299 192.2
[M]+ 405.02777 200.5
[M]- 405.02887 200.5
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.