CID 11820767

N-[(z)-[4-(4-bromophenyl)-3-butyl-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide

Structural Information

Molecular Formula
C19H20BrN5O2S
SMILES
CCCCN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H20BrN5O2S/c1-2-3-10-25-16(14-4-6-15(20)7-5-14)13-28-19(25)24-23-17(26)12-27-18-11-21-8-9-22-18/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,26)/b24-19-
InChIKey
HBWGWXQAMXHQSE-CLCOLTQESA-N
Compound name
N-[(Z)-[4-(4-bromophenyl)-3-butyl-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

461.05212 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.05940 187.2
[M+Na]+ 484.04134 197.7
[M-H]- 460.04484 197.2
[M+NH4]+ 479.08594 198.4
[M+K]+ 500.01528 184.1
[M+H-H2O]+ 444.04938 183.3
[M+HCOO]- 506.05032 204.6
[M+CH3COO]- 520.06597 229.1
[M+Na-2H]- 482.02679 190.7
[M]+ 461.05157 210.6
[M]- 461.05267 210.6
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.