CID 11820791

Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chloro-2-nitrophenyl)-4-oxo-2-thiazolidinylidene]hydrazide

Structural Information

Molecular Formula
C15H11ClN6O5S
SMILES
C1C(=O)N(/C(=N/NC(=O)COC2=NC=CN=C2)/S1)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H11ClN6O5S/c16-9-1-2-10(11(5-9)22(25)26)21-14(24)8-28-15(21)20-19-12(23)7-27-13-6-17-3-4-18-13/h1-6H,7-8H2,(H,19,23)/b20-15-
InChIKey
TVJLYWBLYFFBBA-HKWRFOASSA-N
Compound name
N-[(Z)-[3-(4-chloro-2-nitrophenyl)-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

422.02002 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.02730 190.2
[M+Na]+ 445.00924 195.4
[M-H]- 421.01274 197.7
[M+NH4]+ 440.05384 197.6
[M+K]+ 460.98318 186.5
[M+H-H2O]+ 405.01728 184.7
[M+HCOO]- 467.01822 204.2
[M+CH3COO]- 481.03387 218.4
[M+Na-2H]- 442.99469 193.9
[M]+ 422.01947 191.6
[M]- 422.02057 191.6
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.