CID 5388407

Nsc635825

Structural Information

Molecular Formula
C18H12Cl2N2O3
SMILES
CC(=O)NC1=CC=C(C=C1)C2=N/C(=C\C3=CC(=C(C=C3)Cl)Cl)/C(=O)O2
InChI
InChI=1S/C18H12Cl2N2O3/c1-10(23)21-13-5-3-12(4-6-13)17-22-16(18(24)25-17)9-11-2-7-14(19)15(20)8-11/h2-9H,1H3,(H,21,23)/b16-9-
InChIKey
BGIQFOXWISVDGS-SXGWCWSVSA-N
Compound name
N-[4-[(4Z)-4-[(3,4-dichlorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0225 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02978 186.9
[M+Na]+ 397.01172 197.2
[M-H]- 373.01522 196.0
[M+NH4]+ 392.05632 199.3
[M+K]+ 412.98566 190.7
[M+H-H2O]+ 357.01976 179.1
[M+HCOO]- 419.02070 199.6
[M+CH3COO]- 433.03635 215.0
[M+Na-2H]- 394.99717 186.4
[M]+ 374.02195 191.5
[M]- 374.02305 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.