CID 3001406

P-tolu-p-toluidide, thio-

Structural Information

Molecular Formula
C15H15NS
SMILES
CC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)C
InChI
InChI=1S/C15H15NS/c1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,16,17)
InChIKey
IDZZSCUIBLBWQW-UHFFFAOYSA-N
Compound name
4-methyl-N-(4-methylphenyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.09251 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09979 153.2
[M+Na]+ 264.08173 160.9
[M-H]- 240.08523 160.3
[M+NH4]+ 259.12633 171.3
[M+K]+ 280.05567 155.6
[M+H-H2O]+ 224.08977 146.2
[M+HCOO]- 286.09071 172.3
[M+CH3COO]- 300.10636 195.2
[M+Na-2H]- 262.06718 155.7
[M]+ 241.09196 153.6
[M]- 241.09306 153.6
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.