CID 9621270

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

Structural Information

Molecular Formula
C24H15Cl2N5O4S
SMILES
C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H15Cl2N5O4S/c25-16-8-11-18(19(26)12-16)23(34)35-17-9-6-14(7-10-17)13-27-29-21(33)20(32)28-24-31-30-22(36-24)15-4-2-1-3-5-15/h1-13H,(H,29,33)(H,28,31,32)/b27-13+
InChIKey
BEZGOECPIHGGKV-UVHMKAGCSA-N
Compound name
[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

539.02216 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.02944 221.2
[M+Na]+ 562.01138 227.9
[M-H]- 538.01488 232.8
[M+NH4]+ 557.05598 226.6
[M+K]+ 577.98532 221.3
[M+H-H2O]+ 522.01942 211.2
[M+HCOO]- 584.02036 231.6
[M+CH3COO]- 598.03601 228.6
[M+Na-2H]- 559.99683 220.7
[M]+ 539.02161 228.7
[M]- 539.02271 228.7
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.