CID 135400186

Einecs 262-020-8

Structural Information

Molecular Formula
C22H13ClN4O2
SMILES
C1=CC=C2C(=C1)C(=NC3=CC(=C(C=C3)N=C4C5=CC=CC=C5C(=O)N4)Cl)NC2=O
InChI
InChI=1S/C22H13ClN4O2/c23-17-11-12(24-19-13-5-1-3-7-15(13)21(28)26-19)9-10-18(17)25-20-14-6-2-4-8-16(14)22(29)27-20/h1-11H,(H,24,26,28)(H,25,27,29)
InChIKey
GWSHBPLYIXCKGG-UHFFFAOYSA-N
Compound name
3-[3-chloro-4-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.0727 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.07998 192.6
[M+Na]+ 423.06192 207.2
[M+NH4]+ 418.10652 200.3
[M+K]+ 439.03586 201.6
[M-H]- 399.06542 198.8
[M+Na-2H]- 421.04737 199.4
[M]+ 400.07215 196.5
[M]- 400.07325 196.5
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.