CID 3038071

16531-31-0

Structural Information

Molecular Formula
C17H28N2OS
SMILES
CCCCOC1=CC=C(C=C1)C(=S)NCCN(CC)CC
InChI
InChI=1S/C17H28N2OS/c1-4-7-14-20-16-10-8-15(9-11-16)17(21)18-12-13-19(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3,(H,18,21)
InChIKey
UPUZCHPJXAIWEM-UHFFFAOYSA-N
Compound name
4-butoxy-N-[2-(diethylamino)ethyl]benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.19223 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19951 176.7
[M+Na]+ 331.18145 185.5
[M+NH4]+ 326.22605 184.0
[M+K]+ 347.15539 176.3
[M-H]- 307.18495 179.7
[M+Na-2H]- 329.16690 181.1
[M]+ 308.19168 179.1
[M]- 308.19278 179.1
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.