CID 55280

Brn 5172246

Structural Information

Molecular Formula
C24H18ClN3O4
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)OC)C1=O
InChI
InChI=1S/C24H18ClN3O4/c1-28-20-12-7-16(25)13-19(20)21(23(28)30)26-17-8-3-14(4-9-17)22(29)27-18-10-5-15(6-11-18)24(31)32-2/h3-13H,1-2H3,(H,27,29)
InChIKey
KVMSEESRVCSEIR-UHFFFAOYSA-N
Compound name
methyl 4-[[4-[(5-chloro-1-methyl-2-oxoindol-3-ylidene)amino]benzoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.09857 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.10585 204.7
[M+Na]+ 470.08779 218.8
[M+NH4]+ 465.13239 210.8
[M+K]+ 486.06173 212.7
[M-H]- 446.09129 210.6
[M+Na-2H]- 468.07324 211.9
[M]+ 447.09802 208.5
[M]- 447.09912 208.5
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.