CID 9588158

Ecbt

Structural Information

Molecular Formula
C19H14Cl2N2O2S
SMILES
COC(=O)CC1=C(N=C(S1)/N=C/C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14Cl2N2O2S/c1-25-17(24)10-16-18(13-4-8-15(21)9-5-13)23-19(26-16)22-11-12-2-6-14(20)7-3-12/h2-9,11H,10H2,1H3/b22-11+
InChIKey
PWSBCLRIHVDWRH-SSDVNMTOSA-N
Compound name
methyl 2-[4-(4-chlorophenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]-1,3-thiazol-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.0153 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.02258 193.1
[M+Na]+ 427.00452 208.9
[M+NH4]+ 422.04912 201.5
[M+K]+ 442.97846 198.7
[M-H]- 403.00802 199.2
[M+Na-2H]- 424.98997 202.1
[M]+ 404.01475 198.2
[M]- 404.01585 198.2
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.