CID 2131650

4-(4-chlorophenyl)-n-(prop-2-en-1-yl)-1,3-thiazol-2-amine

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04042 153.8
[M+Na]+ 273.02236 163.9
[M-H]- 249.02586 159.8
[M+NH4]+ 268.06696 173.0
[M+K]+ 288.99630 157.2
[M+H-H2O]+ 233.03040 147.3
[M+HCOO]- 295.03134 169.8
[M+CH3COO]- 309.04699 166.7
[M+Na-2H]- 271.00781 155.6
[M]+ 250.03259 157.1
[M]- 250.03369 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.