CID 135416257

2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}-n'-[(e)-(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide

Structural Information

Molecular Formula
C24H18Br2ClN5O2S
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=C(C(=CC(=C3)Br)Br)O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H18Br2ClN5O2S/c1-14-2-8-19(9-3-14)32-23(15-4-6-18(27)7-5-15)30-31-24(32)35-13-21(33)29-28-12-16-10-17(25)11-20(26)22(16)34/h2-12,34H,13H2,1H3,(H,29,33)/b28-12+
InChIKey
NMXXIHIMOJIELB-KVSWJAHQSA-N
Compound name
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.92365 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.93093 195.7
[M+Na]+ 655.91287 206.2
[M-H]- 631.91637 207.1
[M+NH4]+ 650.95747 203.4
[M+K]+ 671.88681 188.2
[M+H-H2O]+ 615.92091 201.2
[M+HCOO]- 677.92185 203.2
[M+CH3COO]- 691.93750 205.7
[M+Na-2H]- 653.89832 197.2
[M]+ 632.92310 234.0
[M]- 632.92420 234.0
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.