CID 5011754

3-(4-pyridylamino)phthalide

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC=C2C(=C1)C(OC2=O)NC3=CC=NC=C3
InChI
InChI=1S/C13H10N2O2/c16-13-11-4-2-1-3-10(11)12(17-13)15-9-5-7-14-8-6-9/h1-8,12H,(H,14,15)
InChIKey
CPXMAXYXGJYMJZ-UHFFFAOYSA-N
Compound name
3-(pyridin-4-ylamino)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 148.0
[M+Na]+ 249.06345 162.0
[M+NH4]+ 244.10805 156.9
[M+K]+ 265.03739 156.8
[M-H]- 225.06695 153.8
[M+Na-2H]- 247.04890 155.9
[M]+ 226.07368 151.6
[M]- 226.07478 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe