CID 11820792

N-[(z)-[3-(4-chlorophenyl)-4-oxo-thiazolidin-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide

Structural Information

Molecular Formula
C15H12ClN5O3S
SMILES
C1C(=O)N(/C(=N/NC(=O)COC2=NC=CN=C2)/S1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClN5O3S/c16-10-1-3-11(4-2-10)21-14(23)9-25-15(21)20-19-12(22)8-24-13-7-17-5-6-18-13/h1-7H,8-9H2,(H,19,22)/b20-15-
InChIKey
JBNOELAJNVDRRE-HKWRFOASSA-N
Compound name
N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.03494 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.04222 182.8
[M+Na]+ 400.02416 190.9
[M-H]- 376.02766 190.4
[M+NH4]+ 395.06876 193.6
[M+K]+ 415.99810 185.2
[M+H-H2O]+ 360.03220 173.0
[M+HCOO]- 422.03314 196.4
[M+CH3COO]- 436.04879 216.1
[M+Na-2H]- 398.00961 183.9
[M]+ 377.03439 186.5
[M]- 377.03549 186.5
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.