CID 6891816

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

Structural Information

Molecular Formula
C30H24BrN5O2S
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C30H24BrN5O2S/c31-25-15-13-24(14-16-25)29-34-35-30(36(29)26-9-5-2-6-10-26)39-21-28(37)33-32-19-22-11-17-27(18-12-22)38-20-23-7-3-1-4-8-23/h1-19H,20-21H2,(H,33,37)/b32-19+
InChIKey
KCJUZBTXKFFJKF-BIZUNTBRSA-N
Compound name
2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.08344 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.09072 223.0
[M+Na]+ 620.07266 231.0
[M-H]- 596.07616 237.5
[M+NH4]+ 615.11726 227.6
[M+K]+ 636.04660 216.5
[M+H-H2O]+ 580.08070 217.4
[M+HCOO]- 642.08164 238.8
[M+CH3COO]- 656.09729 231.4
[M+Na-2H]- 618.05811 225.2
[M]+ 597.08289 244.3
[M]- 597.08399 244.3
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.