CID 9666558

2-{[5-(4-bromophenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}-n'-[(e)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C26H24BrN5O4S
SMILES
COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C26H24BrN5O4S/c1-34-21-13-17(14-22(35-2)24(21)36-3)15-28-29-23(33)16-37-26-31-30-25(18-9-11-19(27)12-10-18)32(26)20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,29,33)/b28-15+
InChIKey
DOKQGLITBWQRFH-RWPZCVJISA-N
Compound name
2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.07324 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.08052 221.2
[M+Na]+ 604.06246 225.4
[M+NH4]+ 599.10706 222.6
[M+K]+ 620.03640 223.9
[M-H]- 580.06596 225.8
[M+Na-2H]- 602.04791 226.7
[M]+ 581.07269 222.3
[M]- 581.07379 222.3
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.