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 146.1
[M+Na]+ 249.06345 154.9
[M-H]- 225.06695 153.5
[M+NH4]+ 244.10805 164.0
[M+K]+ 265.03739 152.0
[M+H-H2O]+ 209.07149 138.5
[M+HCOO]- 271.07243 169.5
[M+CH3COO]- 285.08808 159.6
[M+Na-2H]- 247.04890 154.0
[M]+ 226.07368 146.4
[M]- 226.07478 146.4
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