CID 135715663

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

Structural Information

Molecular Formula
C21H19Br2N5O2S
SMILES
CC(=C)CN1C(=NN=C1SCC(=O)N/N=C/C2=C(C=CC(=C2)Br)O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H19Br2N5O2S/c1-13(2)11-28-20(14-3-5-16(22)6-4-14)26-27-21(28)31-12-19(30)25-24-10-15-9-17(23)7-8-18(15)29/h3-10,29H,1,11-12H2,2H3,(H,25,30)/b24-10+
InChIKey
CQEZNIKEPWBFAO-YSURURNPSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)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

562.96265 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.96993 182.5
[M+Na]+ 585.95187 191.5
[M-H]- 561.95537 191.3
[M+NH4]+ 580.99647 191.6
[M+K]+ 601.92581 173.7
[M+H-H2O]+ 545.95991 187.7
[M+HCOO]- 607.96085 192.9
[M+CH3COO]- 621.97650 242.4
[M+Na-2H]- 583.93732 184.0
[M]+ 562.96210 218.9
[M]- 562.96320 218.9
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.