CID 3038074

16531-38-7

Structural Information

Molecular Formula
C15H24N2OS
SMILES
CCCOC1=CC=C(C=C1)C(=S)NCCCN(C)C
InChI
InChI=1S/C15H24N2OS/c1-4-12-18-14-8-6-13(7-9-14)15(19)16-10-5-11-17(2)3/h6-9H,4-5,10-12H2,1-3H3,(H,16,19)
InChIKey
DAVJFCSWYBRJQP-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-4-propoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16095 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16823 168.0
[M+Na]+ 303.15017 177.3
[M+NH4]+ 298.19477 175.7
[M+K]+ 319.12411 168.6
[M-H]- 279.15367 171.2
[M+Na-2H]- 301.13562 173.0
[M]+ 280.16040 170.5
[M]- 280.16150 170.5
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.