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 194.5
[M+Na]+ 423.06192 204.5
[M-H]- 399.06542 204.3
[M+NH4]+ 418.10652 208.4
[M+K]+ 439.03586 195.2
[M+H-H2O]+ 383.06996 185.2
[M+HCOO]- 445.07090 211.3
[M+CH3COO]- 459.08655 204.5
[M+Na-2H]- 421.04737 195.0
[M]+ 400.07215 194.5
[M]- 400.07325 194.5
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.