CID 2851081

N'-[(3e)-5,7-dibromo-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-2-hydroxy-2-phenylacetohydrazide

Structural Information

Molecular Formula
C16H11Br2N3O3
SMILES
C1=CC=C(C=C1)C(C(=O)N=NC2=C(NC3=C2C=C(C=C3Br)Br)O)O
InChI
InChI=1S/C16H11Br2N3O3/c17-9-6-10-12(11(18)7-9)19-15(23)13(10)20-21-16(24)14(22)8-4-2-1-3-5-8/h1-7,14,19,22-23H
InChIKey
GPFALWBJLCBNKO-UHFFFAOYSA-N
Compound name
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxy-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.91672 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.92400 176.1
[M+Na]+ 473.90594 185.0
[M-H]- 449.90944 184.0
[M+NH4]+ 468.95054 189.8
[M+K]+ 489.87988 169.3
[M+H-H2O]+ 433.91398 181.4
[M+HCOO]- 495.91492 191.4
[M+CH3COO]- 509.93057 225.5
[M+Na-2H]- 471.89139 180.1
[M]+ 450.91617 210.1
[M]- 450.91727 210.1
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.