CID 216335

152264-72-7

Structural Information

Molecular Formula
C26H17Cl2N3O2
SMILES
C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)N(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C26H17Cl2N3O2/c27-18-3-7-20(8-4-18)31(21-9-5-19(28)6-10-21)22-11-12-23-24(14-22)26(33)30(25(23)32)16-17-2-1-13-29-15-17/h1-15H,16H2
InChIKey
LXIOJVSXCZJPEZ-UHFFFAOYSA-N
Compound name
5-(4-chloro-N-(4-chlorophenyl)anilino)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

473.0698 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.07708 213.8
[M+Na]+ 496.05902 223.5
[M-H]- 472.06252 225.2
[M+NH4]+ 491.10362 222.7
[M+K]+ 512.03296 214.8
[M+H-H2O]+ 456.06706 201.5
[M+HCOO]- 518.06800 224.9
[M+CH3COO]- 532.08365 222.4
[M+Na-2H]- 494.04447 212.9
[M]+ 473.06925 218.8
[M]- 473.07035 218.8
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