CID 3060955

78372-20-0

Structural Information

Molecular Formula
C17H29NO2S
SMILES
CCC(C)C(C1=CC=CS1)C(=O)OCCCN(CC)CC
InChI
InChI=1S/C17H29NO2S/c1-5-14(4)16(15-10-8-13-21-15)17(19)20-12-9-11-18(6-2)7-3/h8,10,13-14,16H,5-7,9,11-12H2,1-4H3
InChIKey
SUZFXHWNBHGCLY-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 3-methyl-2-thiophen-2-ylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1919 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19918 178.7
[M+Na]+ 334.18112 185.2
[M+NH4]+ 329.22572 185.4
[M+K]+ 350.15506 179.8
[M-H]- 310.18462 179.6
[M+Na-2H]- 332.16657 180.6
[M]+ 311.19135 180.0
[M]- 311.19245 180.0
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.