CID 2131650

21344-79-6

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂S

SMILES

C=CCNC1=NC(=CS1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN2S/c1-2-7-14-12-15-11(8-16-12)9-3-5-10(13)6-4-9/h2-6,8H,1,7H2,(H,14,15)

InChIKey

CFLBYLQUMHJCFH-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 250.03314 Da
Monoisotopic Mass: 4.2
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]+	251.040416	153.8
[M+Na]+	273.022358	163.9
[M-H]-	249.025864	159.8
[M+NH4]+	268.066963	173.0
[M+K]+	288.996298	157.2
[M+H-H2O]+	233.030400	147.3
[M+HCOO]-	295.031341	169.8
[M+CH3COO]-	309.046991	166.7
[M+Na-2H]-	271.007806	155.6
[M]+	250.03259142	157.1
[M]-	250.03368858	157.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.