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]+ 273.105606 161.8
[M+Na]+ 295.087548 168.4
[M-H]- 271.091054 169.5
[M+NH4]+ 290.132153 178.3
[M+K]+ 311.061488 164.5
[M+H-H2O]+ 255.095590 153.7
[M+HCOO]- 317.096531 181.8
[M+CH3COO]- 331.112181 205.6
[M+Na-2H]- 293.072996 163.1
[M]+ 272.09778142 163.1
[M]- 272.09887858 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.