CID 216334

152264-48-7

Structural Information

Molecular Formula
C20H13ClN2O3
SMILES
C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H13ClN2O3/c21-14-3-5-15(6-4-14)26-16-7-8-17-18(10-16)20(25)23(19(17)24)12-13-2-1-9-22-11-13/h1-11H,12H2
InChIKey
OXPQKWYAWFKMRG-UHFFFAOYSA-N
Compound name
5-(4-chlorophenoxy)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

364.06146 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06874 183.5
[M+Na]+ 387.05068 201.1
[M+NH4]+ 382.09528 191.6
[M+K]+ 403.02462 193.4
[M-H]- 363.05418 189.1
[M+Na-2H]- 385.03613 192.7
[M]+ 364.06091 188.0
[M]- 364.06201 188.0
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