CID 231380

Win 3074

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=CC=CC=N3
InChI
InChI=1S/C15H12N2O2/c18-14-12-6-1-2-7-13(12)15(19)17(14)10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2
InChIKey
XDSOQPQMYBPJND-UHFFFAOYSA-N
Compound name
2-(2-pyridin-2-ylethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

23
Patents

252.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 156.0
[M+Na]+ 275.07909 165.7
[M-H]- 251.08259 161.3
[M+NH4]+ 270.12369 173.2
[M+K]+ 291.05303 160.8
[M+H-H2O]+ 235.08713 147.4
[M+HCOO]- 297.08807 177.3
[M+CH3COO]- 311.10372 168.6
[M+Na-2H]- 273.06454 160.6
[M]+ 252.08932 157.1
[M]- 252.09042 157.1
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