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

1
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

literature stripe

Patent stripe

patents stripe