CID 9680516

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

Structural Information

Molecular Formula
C27H21N5O5S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=NN=C(S2)C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C27H21N5O5S/c1-36-22-16-19(12-14-21(22)37-23(33)15-13-18-8-4-2-5-9-18)17-28-30-25(35)24(34)29-27-32-31-26(38-27)20-10-6-3-7-11-20/h2-17H,1H3,(H,30,35)(H,29,32,34)/b15-13+,28-17+
InChIKey
ALTJWNPJBIXDTN-QLBNXQEESA-N
Compound name
[2-methoxy-4-[(E)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.12634 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.13362 221.4
[M+Na]+ 550.11556 231.8
[M+NH4]+ 545.16016 224.7
[M+K]+ 566.08950 225.7
[M-H]- 526.11906 227.5
[M+Na-2H]- 548.10101 230.7
[M]+ 527.12579 224.6
[M]- 527.12689 224.6
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.