CID 3038076

16531-42-3

Structural Information

Molecular Formula
C16H26N2OS
SMILES
CCCCOC1=CC=C(C=C1)C(=S)NCCCN(C)C
InChI
InChI=1S/C16H26N2OS/c1-4-5-13-19-15-9-7-14(8-10-15)16(20)17-11-6-12-18(2)3/h7-10H,4-6,11-13H2,1-3H3,(H,17,20)
InChIKey
SFBOQUTUNLWFLY-UHFFFAOYSA-N
Compound name
4-butoxy-N-[3-(dimethylamino)propyl]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17657 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18385 172.3
[M+Na]+ 317.16579 181.4
[M+NH4]+ 312.21039 179.9
[M+K]+ 333.13973 172.4
[M-H]- 293.16929 175.4
[M+Na-2H]- 315.15124 177.1
[M]+ 294.17602 174.8
[M]- 294.17712 174.8
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.