CID 3054680

F 1687

Structural Information

Molecular Formula
C16H11ClN2O2S
SMILES
C1=CC=C(C=C1)OC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11ClN2O2S/c17-12-8-6-11(7-9-12)14-10-22-15(18-14)19-16(20)21-13-4-2-1-3-5-13/h1-10H,(H,18,19,20)
InChIKey
TYHMERTVGLJTOB-UHFFFAOYSA-N
Compound name
phenyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.02298 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03026 172.7
[M+Na]+ 353.01220 187.5
[M+NH4]+ 348.05680 181.6
[M+K]+ 368.98614 178.9
[M-H]- 329.01570 178.9
[M+Na-2H]- 350.99765 182.9
[M]+ 330.02243 177.4
[M]- 330.02353 177.4
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.