CID 22733

Alpha-(3-hydroxy-2-oxo-3-indolinyl)-2-methylpyridine

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1=CC=C2C(=C1)C(C(=O)N2)(CC3=CC=CC=N3)O
InChI
InChI=1S/C14H12N2O2/c17-13-14(18,9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)16-13/h1-8,18H,9H2,(H,16,17)
InChIKey
NGKGBFMNFGPGGV-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

18
Patents

240.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 153.3
[M+Na]+ 263.07909 162.5
[M-H]- 239.08259 156.2
[M+NH4]+ 258.12369 171.5
[M+K]+ 279.05303 156.8
[M+H-H2O]+ 223.08713 145.6
[M+HCOO]- 285.08807 171.9
[M+CH3COO]- 299.10372 165.0
[M+Na-2H]- 261.06454 159.5
[M]+ 240.08932 151.2
[M]- 240.09042 151.2
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

patents stripe