CID 135511272

5-bromo-3-(2-pyridylimino)indolin-2-one

Structural Information

Molecular Formula
C13H8BrN3O
SMILES
C1=CC=NC(=C1)N=C2C3=C(C=CC(=C3)Br)NC2=O
InChI
InChI=1S/C13H8BrN3O/c14-8-4-5-10-9(7-8)12(13(18)16-10)17-11-3-1-2-6-15-11/h1-7H,(H,15,16,17,18)
InChIKey
FALHIOCAOBIBIF-UHFFFAOYSA-N
Compound name
5-bromo-3-pyridin-2-ylimino-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.98508 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.99236 158.1
[M+Na]+ 323.97430 170.6
[M-H]- 299.97780 166.1
[M+NH4]+ 319.01890 176.9
[M+K]+ 339.94824 157.8
[M+H-H2O]+ 283.98234 156.4
[M+HCOO]- 345.98328 178.7
[M+CH3COO]- 359.99893 172.2
[M+Na-2H]- 321.95975 165.2
[M]+ 300.98453 175.3
[M]- 300.98563 175.3
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.