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 190.3
[M+Na]+ 621.95187 199.3
[M-H]- 597.95537 202.3
[M+NH4]+ 616.99647 198.5
[M+K]+ 637.92581 183.0
[M+H-H2O]+ 581.95991 195.4
[M+HCOO]- 643.96085 202.8
[M+CH3COO]- 657.97650 200.6
[M+Na-2H]- 619.93732 193.5
[M]+ 598.96210 227.7
[M]- 598.96320 227.7
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.