CID 48936

Brn 3356665

Structural Information

Molecular Formula
C20H33NO2S
SMILES
CCCCN(CCCC)CCOC(=O)C1=CC=CC=C1SCCC
InChI
InChI=1S/C20H33NO2S/c1-4-7-13-21(14-8-5-2)15-16-23-20(22)18-11-9-10-12-19(18)24-17-6-3/h9-12H,4-8,13-17H2,1-3H3
InChIKey
JPUASZCXUOJIJK-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl 2-propylsulfanylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.2232 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23048 188.8
[M+Na]+ 374.21242 197.8
[M+NH4]+ 369.25702 195.6
[M+K]+ 390.18636 188.1
[M-H]- 350.21592 191.0
[M+Na-2H]- 372.19787 192.3
[M]+ 351.22265 191.0
[M]- 351.22375 191.0
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.