CID 3856542

624726-27-8

Structural Information

Molecular Formula
C19H16BrN3O4
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C19H16BrN3O4/c1-2-27-16(24)11-23-15-9-4-3-8-14(15)17(19(23)26)21-22-18(25)12-6-5-7-13(20)10-12/h3-10,26H,2,11H2,1H3
InChIKey
MJLQKHJGRMVZKQ-UHFFFAOYSA-N
Compound name
ethyl 2-[3-[(3-bromobenzoyl)diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.0324 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.03968 190.0
[M+Na]+ 452.02162 200.6
[M-H]- 428.02512 200.5
[M+NH4]+ 447.06622 205.0
[M+K]+ 467.99556 189.6
[M+H-H2O]+ 412.02966 186.4
[M+HCOO]- 474.03060 213.1
[M+CH3COO]- 488.04625 227.0
[M+Na-2H]- 450.00707 194.0
[M]+ 429.03185 214.1
[M]- 429.03295 214.1
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.