CID 671741

71576-06-2

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂S

SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H12N2O2S/c19-16(20-13-9-5-2-6-10-13)18-15-17-14(11-21-15)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)

InChIKey

MTXPTQRTULVZAZ-UHFFFAOYSA-N

Compound name

phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 12
Patents: 296.06195 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	297.06923	166.1
[M+Na]+	319.05117	173.8
[M-H]-	295.05467	175.1
[M+NH4]+	314.09577	181.6
[M+K]+	335.02511	169.0
[M+H-H2O]+	279.05921	157.6
[M+HCOO]-	341.06015	186.5
[M+CH3COO]-	355.07580	178.0
[M+Na-2H]-	317.03662	168.9
[M]+	296.06140	168.1
[M]-	296.06250	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe