CID 25134265

2-(2-chloropyridin-4-yl)-4-methyl-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C14H9ClN2O2
SMILES
CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC(=NC=C3)Cl
InChI
InChI=1S/C14H9ClN2O2/c1-8-3-2-4-10-12(8)14(19)17(13(10)18)9-5-6-16-11(15)7-9/h2-7H,1H3
InChIKey
YDJMWNHJNJVVMM-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-pyridinyl)-4-methylisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

272.03525 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04253 158.8
[M+Na]+ 295.02447 171.5
[M-H]- 271.02797 164.7
[M+NH4]+ 290.06907 176.6
[M+K]+ 310.99841 165.2
[M+H-H2O]+ 255.03251 151.2
[M+HCOO]- 317.03345 175.6
[M+CH3COO]- 331.04910 171.9
[M+Na-2H]- 293.00992 161.9
[M]+ 272.03470 162.4
[M]- 272.03580 162.4
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

No patent data available for this compound.