CID 292696

4-methoxy-n-methylthiobenzanilide

Structural Information

Molecular Formula
C15H15NOS
SMILES
CN(C1=CC=CC=C1)C(=S)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H15NOS/c1-16(13-6-4-3-5-7-13)15(18)12-8-10-14(17-2)11-9-12/h3-11H,1-2H3
InChIKey
XYSHNGSRNVLPSL-UHFFFAOYSA-N
Compound name
4-methoxy-N-methyl-N-phenylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08743 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09471 157.2
[M+Na]+ 280.07665 170.9
[M+NH4]+ 275.12125 166.8
[M+K]+ 296.05059 161.3
[M-H]- 256.08015 163.2
[M+Na-2H]- 278.06210 166.9
[M]+ 257.08688 161.5
[M]- 257.08798 161.5
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.