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 143.4
[M+Na]+ 245.01775 154.0
[M-H]- 221.02125 149.2
[M+NH4]+ 240.06235 163.1
[M+K]+ 260.99169 148.4
[M+H-H2O]+ 205.02579 137.3
[M+HCOO]- 267.02673 158.4
[M+CH3COO]- 281.04238 156.7
[M+Na-2H]- 243.00320 143.9
[M]+ 222.02798 145.0
[M]- 222.02908 145.0
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.