CID 28401695

4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline

Structural Information

Molecular Formula
C10H10N2S2
SMILES
CC1=CSC(=N1)SC2=CC=C(C=C2)N
InChI
InChI=1S/C10H10N2S2/c1-7-6-13-10(12-7)14-9-4-2-8(11)3-5-9/h2-6H,11H2,1H3
InChIKey
RWSDQMBAKOAUAQ-UHFFFAOYSA-N
Compound name
4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.02853 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03581 144.0
[M+Na]+ 245.01775 156.4
[M+NH4]+ 240.06235 154.0
[M+K]+ 260.99169 147.3
[M-H]- 221.02125 149.0
[M+Na-2H]- 243.00320 151.2
[M]+ 222.02798 148.2
[M]- 222.02908 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.