CID 11820744

N-[(z)-[3,4-bis(4-chlorophenyl)thiazol-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide

Structural Information

Molecular Formula
C21H15Cl2N5O2S
SMILES
C1=CC(=CC=C1C2=CS/C(=N\NC(=O)COC3=NC=CN=C3)/N2C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H15Cl2N5O2S/c22-15-3-1-14(2-4-15)18-13-31-21(28(18)17-7-5-16(23)6-8-17)27-26-19(29)12-30-20-11-24-9-10-25-20/h1-11,13H,12H2,(H,26,29)/b27-21-
InChIKey
YCVAXXFGBFTOQG-MEFGMAGPSA-N
Compound name
N-[(Z)-[3,4-bis(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.03235 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.03963 205.5
[M+Na]+ 494.02157 215.1
[M-H]- 470.02507 215.7
[M+NH4]+ 489.06617 213.0
[M+K]+ 509.99551 206.9
[M+H-H2O]+ 454.02961 194.5
[M+HCOO]- 516.03055 215.4
[M+CH3COO]- 530.04620 214.2
[M+Na-2H]- 492.00702 206.3
[M]+ 471.03180 212.5
[M]- 471.03290 212.5
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.