CID 135537871

51016-63-8

Structural Information

Molecular Formula
C22H12Cl2N4O2
SMILES
C1=CC=C2C(=C1)C(=NC3=CC(=C(C=C3Cl)N=C4C5=CC=CC=C5C(=O)N4)Cl)NC2=O
InChI
InChI=1S/C22H12Cl2N4O2/c23-15-10-18(26-20-12-6-2-4-8-14(12)22(30)28-20)16(24)9-17(15)25-19-11-5-1-3-7-13(11)21(29)27-19/h1-10H,(H,25,27,29)(H,26,28,30)
InChIKey
ABRHAPVKULGVAO-UHFFFAOYSA-N
Compound name
3-[2,5-dichloro-4-[(3-oxoisoindol-1-ylidene)amino]phenyl]iminoisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

434.03372 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.04100 204.1
[M+Na]+ 457.02294 215.3
[M-H]- 433.02644 213.2
[M+NH4]+ 452.06754 217.4
[M+K]+ 472.99688 205.4
[M+H-H2O]+ 417.03098 195.2
[M+HCOO]- 479.03192 215.7
[M+CH3COO]- 493.04757 213.4
[M+Na-2H]- 455.00839 202.8
[M]+ 434.03317 206.0
[M]- 434.03427 206.0
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