CID 489562

1-acetyl-3-(2-pyridylimino)indolin-2-one

Structural Information

Molecular Formula
C15H11N3O2
SMILES
CC(=O)N1C2=CC=CC=C2C(=NC3=CC=CC=N3)C1=O
InChI
InChI=1S/C15H11N3O2/c1-10(19)18-12-7-3-2-6-11(12)14(15(18)20)17-13-8-4-5-9-16-13/h2-9H,1H3
InChIKey
BJMTWXANRAOZTR-UHFFFAOYSA-N
Compound name
1-acetyl-3-pyridin-2-yliminoindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0851 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.092376 158.8
[M+Na]+ 288.074318 168.1
[M-H]- 264.077824 165.7
[M+NH4]+ 283.118923 175.8
[M+K]+ 304.048258 163.9
[M+H-H2O]+ 248.082360 149.9
[M+HCOO]- 310.083301 181.9
[M+CH3COO]- 324.098951 200.3
[M+Na-2H]- 286.059766 163.4
[M]+ 265.08455142 159.7
[M]- 265.08564858 159.7
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.