CID 3038093

18051-53-1

Structural Information

Molecular Formula
C17H28N2OS
SMILES
CCCOC1=CC=C(C=C1)C(=S)NCCCN(CC)CC
InChI
InChI=1S/C17H28N2OS/c1-4-14-20-16-10-8-15(9-11-16)17(21)18-12-7-13-19(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3,(H,18,21)
InChIKey
MISOWJIGAAHELX-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-4-propoxybenzenecarbothioamide
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 176.8
[M+Na]+ 331.18145 180.1
[M-H]- 307.18495 180.5
[M+NH4]+ 326.22605 192.2
[M+K]+ 347.15539 176.7
[M+H-H2O]+ 291.18949 168.4
[M+HCOO]- 353.19043 195.0
[M+CH3COO]- 367.20608 214.7
[M+Na-2H]- 329.16690 175.9
[M]+ 308.19168 181.7
[M]- 308.19278 181.7
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.