CID 55268

Brn 5175588

Structural Information

Molecular Formula
C25H20ClN3O4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)C
InChI
InChI=1S/C25H20ClN3O4/c1-3-33-25(32)16-6-11-19(12-7-16)28-23(30)15-4-9-18(10-5-15)27-22-20-14-17(26)8-13-21(20)29(2)24(22)31/h4-14H,3H2,1-2H3,(H,28,30)
InChIKey
AQJUAIRAHUEADE-UHFFFAOYSA-N
Compound name
ethyl 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

461.11423 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.12151 211.1
[M+Na]+ 484.10345 219.0
[M-H]- 460.10695 222.1
[M+NH4]+ 479.14805 221.6
[M+K]+ 500.07739 212.9
[M+H-H2O]+ 444.11149 201.2
[M+HCOO]- 506.11243 229.0
[M+CH3COO]- 520.12808 239.6
[M+Na-2H]- 482.08890 209.8
[M]+ 461.11368 216.6
[M]- 461.11478 216.6
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.