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

1
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

literature stripe

Patent stripe

patents stripe