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 173.1
[M+Na]+ 353.01220 182.4
[M-H]- 329.01570 182.4
[M+NH4]+ 348.05680 188.5
[M+K]+ 368.98614 176.1
[M+H-H2O]+ 313.02024 165.4
[M+HCOO]- 375.02118 188.9
[M+CH3COO]- 389.03683 184.9
[M+Na-2H]- 350.99765 174.7
[M]+ 330.02243 177.7
[M]- 330.02353 177.7
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.