CID 3033471

Brn 2132219

Structural Information

Molecular Formula
C15H24N2O2S
SMILES
CCN(CC)CCNC(=S)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C15H24N2O2S/c1-5-17(6-2)10-9-16-15(20)12-7-8-13(18-3)14(11-12)19-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,20)
InChIKey
SPZAICJAASMTOR-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-3,4-dimethoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15585 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.16313 171.0
[M+Na]+ 319.14507 175.9
[M-H]- 295.14857 175.5
[M+NH4]+ 314.18967 187.1
[M+K]+ 335.11901 173.5
[M+H-H2O]+ 279.15311 163.1
[M+HCOO]- 341.15405 190.1
[M+CH3COO]- 355.16970 212.0
[M+Na-2H]- 317.13052 170.6
[M]+ 296.15530 177.1
[M]- 296.15640 177.1
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.