CID 9651268

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

Structural Information

Molecular Formula
C25H18BrN5O5S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=NN=C(S2)C3=CC=CC=C3)OC(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C25H18BrN5O5S/c1-35-20-12-15(10-11-19(20)36-24(34)17-8-5-9-18(26)13-17)14-27-29-22(33)21(32)28-25-31-30-23(37-25)16-6-3-2-4-7-16/h2-14H,1H3,(H,29,33)(H,28,31,32)/b27-14+
InChIKey
JQOBJEZFNNBYFK-MZJWZYIUSA-N
Compound name
[2-methoxy-4-[(E)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.0212 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.02848 212.0
[M+Na]+ 602.01042 213.8
[M+NH4]+ 597.05502 212.7
[M+K]+ 617.98436 214.4
[M-H]- 578.01392 216.1
[M+Na-2H]- 599.99587 217.8
[M]+ 579.02065 212.3
[M]- 579.02175 212.3
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.