CID 988273

301176-42-1

Structural Information

Molecular Formula
C18H13Cl3N2O2S
SMILES
C1=CC(=CC=C1OCC(=O)NC2=NC=C(S2)CC3=CC(=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H13Cl3N2O2S/c19-12-2-4-13(5-3-12)25-10-17(24)23-18-22-9-14(26-18)7-11-1-6-15(20)16(21)8-11/h1-6,8-9H,7,10H2,(H,22,23,24)
InChIKey
AMGPOAXSQDXBTC-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.97632 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.98360 193.0
[M+Na]+ 448.96554 202.7
[M-H]- 424.96904 200.5
[M+NH4]+ 444.01014 205.4
[M+K]+ 464.93948 195.0
[M+H-H2O]+ 408.97358 186.2
[M+HCOO]- 470.97452 197.4
[M+CH3COO]- 484.99017 202.4
[M+Na-2H]- 446.95099 190.6
[M]+ 425.97577 200.4
[M]- 425.97687 200.4
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.