CID 135568393

Brn 5168975

Structural Information

Molecular Formula
C24H18ClN3O4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C24H18ClN3O4/c1-2-32-24(31)15-5-10-18(11-6-15)27-22(29)14-3-8-17(9-4-14)26-21-19-13-16(25)7-12-20(19)28-23(21)30/h3-13H,2H2,1H3,(H,27,29)(H,26,28,30)
InChIKey
BBTYZECJDSYWBU-UHFFFAOYSA-N
Compound name
ethyl 4-[[4-[(5-chloro-2-oxo-1H-indol-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

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.10585 205.5
[M+Na]+ 470.08779 212.6
[M-H]- 446.09129 215.1
[M+NH4]+ 465.13239 215.7
[M+K]+ 486.06173 205.9
[M+H-H2O]+ 430.09583 196.0
[M+HCOO]- 492.09677 222.4
[M+CH3COO]- 506.11242 233.3
[M+Na-2H]- 468.07324 205.3
[M]+ 447.09802 208.6
[M]- 447.09912 208.6
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.