CID 61229842

4-[3-(dimethylamino)phenoxy]benzene-1-carbothioamide

Structural Information

Molecular Formula
C15H16N2OS
SMILES
CN(C)C1=CC(=CC=C1)OC2=CC=C(C=C2)C(=S)N
InChI
InChI=1S/C15H16N2OS/c1-17(2)12-4-3-5-14(10-12)18-13-8-6-11(7-9-13)15(16)19/h3-10H,1-2H3,(H2,16,19)
InChIKey
JPXIKQNBFBIABD-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)phenoxy]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.09833 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 161.8
[M+Na]+ 295.08755 168.4
[M-H]- 271.09105 169.5
[M+NH4]+ 290.13215 178.3
[M+K]+ 311.06149 164.5
[M+H-H2O]+ 255.09559 153.7
[M+HCOO]- 317.09653 181.8
[M+CH3COO]- 331.11218 205.6
[M+Na-2H]- 293.07300 163.1
[M]+ 272.09778 163.1
[M]- 272.09888 163.1
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.