CID 6891939

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

Structural Information

Molecular Formula
C22H21Br2N5O2S
SMILES
CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC)C3=CC=C(C=C3)Br
InChI
InChI=1S/C22H21Br2N5O2S/c1-14(2)12-29-21(15-4-6-17(23)7-5-15)27-28-22(29)32-13-20(30)26-25-11-16-10-18(24)8-9-19(16)31-3/h4-11H,1,12-13H2,2-3H3,(H,26,30)/b25-11+
InChIKey
NWEOEPFGZKHSCL-OPEKNORGSA-N
Compound name
N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.9783 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.98558 186.0
[M+Na]+ 599.96752 195.1
[M-H]- 575.97102 195.7
[M+NH4]+ 595.01212 195.2
[M+K]+ 615.94146 177.8
[M+H-H2O]+ 559.97556 190.9
[M+HCOO]- 621.97650 197.3
[M+CH3COO]- 635.99215 246.2
[M+Na-2H]- 597.95297 187.4
[M]+ 576.97775 224.0
[M]- 576.97885 224.0
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.