CID 653276

4-(toluene-4-sulfonylmethyl)-thiazol-2-ylamine

Structural Information

Molecular Formula
C11H12N2O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)CC2=CSC(=N2)N
InChI
InChI=1S/C11H12N2O2S2/c1-8-2-4-10(5-3-8)17(14,15)7-9-6-16-11(12)13-9/h2-6H,7H2,1H3,(H2,12,13)
InChIKey
WEGQBJREVMHCEB-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

11
Patents

268.03403 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04131 158.4
[M+Na]+ 291.02325 169.2
[M+NH4]+ 286.06785 166.2
[M+K]+ 306.99719 161.8
[M-H]- 267.02675 161.2
[M+Na-2H]- 289.00870 164.1
[M]+ 268.03348 161.6
[M]- 268.03458 161.6
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