CID 57743

Win 3766

Structural Information

Molecular Formula
C16H26N2O2S
SMILES
CCCOC1=C(C=CC(=C1)N)C(=O)SCCN(CC)CC
InChI
InChI=1S/C16H26N2O2S/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKey
BBEFYGKCAQWKCI-UHFFFAOYSA-N
Compound name
S-[2-(diethylamino)ethyl] 4-amino-2-propoxybenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1715 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17878 175.6
[M+Na]+ 333.16072 184.2
[M+NH4]+ 328.20532 182.4
[M+K]+ 349.13466 176.2
[M-H]- 309.16422 178.0
[M+Na-2H]- 331.14617 179.2
[M]+ 310.17095 177.7
[M]- 310.17205 177.7
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.