CID 11820772

Acetic acid, (pyrazinyloxy)-, [(2z)-3-butyl-4-(2,4-dichlorophenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

Molecular Formula
C19H19Cl2N5O2S
SMILES
CCCCN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H19Cl2N5O2S/c1-2-3-8-26-16(14-5-4-13(20)9-15(14)21)12-29-19(26)25-24-17(27)11-28-18-10-22-6-7-23-18/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,24,27)/b25-19-
InChIKey
NIYRPUIXBWCMOA-PLRJNAJWSA-N
Compound name
N-[(Z)-[3-butyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.06366 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.07094 202.2
[M+Na]+ 474.05288 211.3
[M-H]- 450.05638 209.4
[M+NH4]+ 469.09748 211.1
[M+K]+ 490.02682 203.7
[M+H-H2O]+ 434.06092 192.2
[M+HCOO]- 496.06186 211.5
[M+CH3COO]- 510.07751 230.5
[M+Na-2H]- 472.03833 201.4
[M]+ 451.06311 210.7
[M]- 451.06421 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.