CID 3033005

47354-67-6

Structural Information

Molecular Formula
C18H30N2O3S
SMILES
CCOC1=CC(=CC(=C1OCC)OCC)C(=S)NCCCN(C)C
InChI
InChI=1S/C18H30N2O3S/c1-6-21-15-12-14(18(24)19-10-9-11-20(4)5)13-16(22-7-2)17(15)23-8-3/h12-13H,6-11H2,1-5H3,(H,19,24)
InChIKey
KTKADTKOGZYDSQ-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-3,4,5-triethoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19772 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20500 187.0
[M+Na]+ 377.18694 191.2
[M-H]- 353.19044 191.1
[M+NH4]+ 372.23154 200.9
[M+K]+ 393.16088 188.8
[M+H-H2O]+ 337.19498 178.5
[M+HCOO]- 399.19592 205.3
[M+CH3COO]- 413.21157 224.1
[M+Na-2H]- 375.17239 184.6
[M]+ 354.19717 195.9
[M]- 354.19827 195.9
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.