CID 3063351

2-thiazoline, 2-((2-(dibutylamino)ethyl)thio)-

Structural Information

Molecular Formula
C13H26N2S2
SMILES
CCCCN(CCCC)CCSC1=NCCS1
InChI
InChI=1S/C13H26N2S2/c1-3-5-8-15(9-6-4-2)10-12-17-13-14-7-11-16-13/h3-12H2,1-2H3
InChIKey
PNHKBVFFCCPDBF-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.15375 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16103 164.1
[M+Na]+ 297.14297 168.9
[M-H]- 273.14647 166.4
[M+NH4]+ 292.18757 182.1
[M+K]+ 313.11691 165.5
[M+H-H2O]+ 257.15101 156.5
[M+HCOO]- 319.15195 175.8
[M+CH3COO]- 333.16760 202.4
[M+Na-2H]- 295.12842 161.2
[M]+ 274.15320 168.8
[M]- 274.15430 168.8
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.