CID 135568395

Brn 5171824

Structural Information

Molecular Formula
C25H20ClN3O4
SMILES
CCCOC(=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/C25H20ClN3O4/c1-2-13-33-25(32)16-5-10-19(11-6-16)28-23(30)15-3-8-18(9-4-15)27-22-20-14-17(26)7-12-21(20)29-24(22)31/h3-12,14H,2,13H2,1H3,(H,28,30)(H,27,29,31)
InChIKey
DBOGEWVNYDWRKP-UHFFFAOYSA-N
Compound name
propyl 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

461.11423 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.12151 210.0
[M+Na]+ 484.10345 216.5
[M-H]- 460.10695 219.3
[M+NH4]+ 479.14805 219.6
[M+K]+ 500.07739 209.6
[M+H-H2O]+ 444.11149 200.2
[M+HCOO]- 506.11243 226.5
[M+CH3COO]- 520.12808 236.2
[M+Na-2H]- 482.08890 209.2
[M]+ 461.11368 213.3
[M]- 461.11478 213.3
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.