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]+ 266.09238 158.8
[M+Na]+ 288.07432 168.1
[M-H]- 264.07782 165.7
[M+NH4]+ 283.11892 175.8
[M+K]+ 304.04826 163.9
[M+H-H2O]+ 248.08236 149.9
[M+HCOO]- 310.08330 181.9
[M+CH3COO]- 324.09895 200.3
[M+Na-2H]- 286.05977 163.4
[M]+ 265.08455 159.7
[M]- 265.08565 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.