CID 9633289

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

Structural Information

Molecular Formula
C21H22ClN5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C(\C)/C2=CC=CC=C2Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H22ClN5O2S/c1-4-27-20(15-9-11-16(29-3)12-10-15)25-26-21(27)30-13-19(28)24-23-14(2)17-7-5-6-8-18(17)22/h5-12H,4,13H2,1-3H3,(H,24,28)/b23-14+
InChIKey
HUTLDTBCVXUTOB-OEAKJJBVSA-N
Compound name
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-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

443.1183 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.12558 204.9
[M+Na]+ 466.10752 212.7
[M-H]- 442.11102 212.7
[M+NH4]+ 461.15212 213.5
[M+K]+ 482.08146 205.9
[M+H-H2O]+ 426.11556 194.5
[M+HCOO]- 488.11650 217.8
[M+CH3COO]- 502.13215 233.4
[M+Na-2H]- 464.09297 203.1
[M]+ 443.11775 212.6
[M]- 443.11885 212.6
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.