CID 667574

2-amino-4-(4-chlorophenyl)-5-methylthiazole

Structural Information

Molecular Formula
C10H9ClN2S
SMILES
CC1=C(N=C(S1)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN2S/c1-6-9(13-10(12)14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13)
InChIKey
IEJGVSUOFMBPJU-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

224.0175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02478 145.7
[M+Na]+ 247.00672 157.2
[M-H]- 223.01022 151.9
[M+NH4]+ 242.05132 166.1
[M+K]+ 262.98066 151.3
[M+H-H2O]+ 207.01476 139.9
[M+HCOO]- 269.01570 161.5
[M+CH3COO]- 283.03135 159.5
[M+Na-2H]- 244.99217 146.8
[M]+ 224.01695 148.4
[M]- 224.01805 148.4
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

patents stripe