CID 308393

N-(4-(4-chlorophenoxy)-anilinomethyl)-phthalimide

Structural Information

Molecular Formula
C21H15ClN2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CNC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H15ClN2O3/c22-14-5-9-16(10-6-14)27-17-11-7-15(8-12-17)23-13-24-20(25)18-3-1-2-4-19(18)21(24)26/h1-12,23H,13H2
InChIKey
PFZOAFBNXMERGM-UHFFFAOYSA-N
Compound name
2-[[4-(4-chlorophenoxy)anilino]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

378.07712 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.08440 188.0
[M+Na]+ 401.06634 197.6
[M-H]- 377.06984 197.7
[M+NH4]+ 396.11094 201.6
[M+K]+ 417.04028 190.3
[M+H-H2O]+ 361.07438 178.6
[M+HCOO]- 423.07532 206.2
[M+CH3COO]- 437.09097 198.9
[M+Na-2H]- 399.05179 190.3
[M]+ 378.07657 191.9
[M]- 378.07767 191.9
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

No patent data available for this compound.