CID 135511251

Akos024276151

Structural Information

Molecular Formula
C16H12BrN3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=C(C=C(C=C3)Br)O
InChI
InChI=1S/C16H12BrN3O2/c17-11-5-6-13(15(21)7-11)16(22)20-19-9-10-8-18-14-4-2-1-3-12(10)14/h1-9,18,21H,(H,20,22)/b19-9+
InChIKey
ZPLRUAAUTDBCSW-DJKKODMXSA-N
Compound name
4-bromo-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.0113 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.01858 172.4
[M+Na]+ 380.00052 183.4
[M-H]- 356.00402 180.5
[M+NH4]+ 375.04512 189.1
[M+K]+ 395.97446 169.9
[M+H-H2O]+ 340.00856 170.1
[M+HCOO]- 402.00950 194.4
[M+CH3COO]- 416.02515 185.3
[M+Na-2H]- 377.98597 178.8
[M]+ 357.01075 190.7
[M]- 357.01185 190.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.