CID 28401573

1019453-85-0

Structural Information

Molecular Formula
C14H15NS
SMILES
CC1=CC(=C(C=C1)SC2=CC=CC=C2N)C
InChI
InChI=1S/C14H15NS/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15/h3-9H,15H2,1-2H3
InChIKey
BJHMYQKFVFJZDC-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)sulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

229.09251 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09979 149.4
[M+Na]+ 252.08173 158.5
[M-H]- 228.08523 156.4
[M+NH4]+ 247.12633 168.1
[M+K]+ 268.05567 153.1
[M+H-H2O]+ 212.08977 142.6
[M+HCOO]- 274.09071 169.1
[M+CH3COO]- 288.10636 193.3
[M+Na-2H]- 250.06718 151.8
[M]+ 229.09196 150.3
[M]- 229.09306 150.3
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