CID 3506430

624726-21-2

Structural Information

Molecular Formula
C18H14BrN3O4
SMILES
COC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H14BrN3O4/c1-26-15(23)10-22-14-8-3-2-7-13(14)16(18(22)25)20-21-17(24)11-5-4-6-12(19)9-11/h2-9,25H,10H2,1H3
InChIKey
YZAGLPNZDQHYLD-UHFFFAOYSA-N
Compound name
methyl 2-[3-[(3-bromobenzoyl)diazenyl]-2-hydroxyindol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.01678 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.02406 185.4
[M+Na]+ 438.00600 196.5
[M-H]- 414.00950 196.1
[M+NH4]+ 433.05060 201.0
[M+K]+ 453.97994 185.7
[M+H-H2O]+ 398.01404 182.1
[M+HCOO]- 460.01498 208.9
[M+CH3COO]- 474.03063 224.3
[M+Na-2H]- 435.99145 189.9
[M]+ 415.01623 209.2
[M]- 415.01733 209.2
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.