CID 57491

99304-31-1

Structural Information

Molecular Formula
C14H11BrN2O2
SMILES
C1=CC=NC(=C1)CC2(C3=C(C=CC(=C3)Br)NC2=O)O
InChI
InChI=1S/C14H11BrN2O2/c15-9-4-5-12-11(7-9)14(19,13(18)17-12)8-10-3-1-2-6-16-10/h1-7,19H,8H2,(H,17,18)
InChIKey
APILDSXOVHTVRI-UHFFFAOYSA-N
Compound name
5-bromo-3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

318.0004 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00768 163.4
[M+Na]+ 340.98962 175.9
[M-H]- 316.99312 169.1
[M+NH4]+ 336.03422 182.5
[M+K]+ 356.96356 162.9
[M+H-H2O]+ 300.99766 162.9
[M+HCOO]- 362.99860 179.9
[M+CH3COO]- 377.01425 176.6
[M+Na-2H]- 338.97507 169.8
[M]+ 317.99985 180.7
[M]- 318.00095 180.7
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.