CID 48937

Brn 3324390

Structural Information

Molecular Formula
C16H25NO2S
SMILES
CCCSC1=CC=CC(=C1)C(=O)OCCN(CC)CC
InChI
InChI=1S/C16H25NO2S/c1-4-12-20-15-9-7-8-14(13-15)16(18)19-11-10-17(5-2)6-3/h7-9,13H,4-6,10-12H2,1-3H3
InChIKey
QMVYJNVKAMKNIC-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-propylsulfanylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1606 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16788 171.5
[M+Na]+ 318.14982 181.4
[M+NH4]+ 313.19442 179.0
[M+K]+ 334.12376 172.6
[M-H]- 294.15332 173.9
[M+Na-2H]- 316.13527 176.1
[M]+ 295.16005 174.0
[M]- 295.16115 174.0
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.