CID 9649190

2-ethoxy-4-[(e)-({oxo[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl}hydrazono)methyl]phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H19Cl2N5O5S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=NN=C(S2)C3=CC=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H19Cl2N5O5S/c1-2-37-21-12-15(8-11-20(21)38-25(36)18-10-9-17(27)13-19(18)28)14-29-31-23(35)22(34)30-26-33-32-24(39-26)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,31,35)(H,30,33,34)/b29-14+
InChIKey
AQBHBCKYPIZVEQ-IPPBACCNSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.0484 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.05568 231.6
[M+Na]+ 606.03762 237.7
[M-H]- 582.04112 243.2
[M+NH4]+ 601.08222 235.3
[M+K]+ 622.01156 231.8
[M+H-H2O]+ 566.04566 221.3
[M+HCOO]- 628.04660 241.5
[M+CH3COO]- 642.06225 255.0
[M+Na-2H]- 604.02307 230.0
[M]+ 583.04785 241.4
[M]- 583.04895 241.4
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.