CID 135568394

Brn 5166973

Structural Information

Molecular Formula
C23H16ClN3O4
SMILES
COC(=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/C23H16ClN3O4/c1-31-23(30)14-4-9-17(10-5-14)26-21(28)13-2-7-16(8-3-13)25-20-18-12-15(24)6-11-19(18)27-22(20)29/h2-12H,1H3,(H,26,28)(H,25,27,29)
InChIKey
QRBHORUMQFNWGD-UHFFFAOYSA-N
Compound name
methyl 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

433.08295 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.09023 200.4
[M+Na]+ 456.07217 213.8
[M+NH4]+ 451.11677 206.4
[M+K]+ 472.04611 208.1
[M-H]- 432.07567 205.8
[M+Na-2H]- 454.05762 207.5
[M]+ 433.08240 203.9
[M]- 433.08350 203.9
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.