CID 9677566

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

Structural Information

Molecular Formula
C24H19Br2N5O2S
SMILES
COC1=C(C=C(C=C1)Br)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H19Br2N5O2S/c1-33-21-12-11-19(26)13-17(21)14-27-28-22(32)15-34-24-30-29-23(16-7-9-18(25)10-8-16)31(24)20-5-3-2-4-6-20/h2-14H,15H2,1H3,(H,28,32)/b27-14+
InChIKey
KHRIHAWZPUWGRN-MZJWZYIUSA-N
Compound name
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.96265 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.96993 195.9
[M+Na]+ 621.95187 192.0
[M+NH4]+ 616.99647 196.4
[M+K]+ 637.92581 196.6
[M-H]- 597.95537 199.5
[M+Na-2H]- 619.93732 199.1
[M]+ 598.96210 195.6
[M]- 598.96320 195.6
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.