CID 6884419

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

Structural Information

Molecular Formula
C21H22BrN5O3S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=C(C=C2)OC)Br)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H22BrN5O3S/c1-4-27-20(15-6-8-16(29-2)9-7-15)25-26-21(27)31-13-19(28)24-23-12-14-5-10-18(30-3)17(22)11-14/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-12+
InChIKey
GNJZWZWPUKVAAN-FSJBWODESA-N
Compound name
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.06268 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.06996 203.3
[M+Na]+ 526.05190 206.0
[M+NH4]+ 521.09650 204.9
[M+K]+ 542.02584 205.2
[M-H]- 502.05540 205.8
[M+Na-2H]- 524.03735 206.9
[M]+ 503.06213 203.5
[M]- 503.06323 203.5
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.