CID 176005

105254-85-1

Structural Information

Molecular Formula
C24H40N2S2
SMILES
CCCCC(CC)CN(CC(CC)CCCC)CN1C2=CC=CC=C2SC1=S
InChI
InChI=1S/C24H40N2S2/c1-5-9-13-20(7-3)17-25(18-21(8-4)14-10-6-2)19-26-22-15-11-12-16-23(22)28-24(26)27/h11-12,15-16,20-21H,5-10,13-14,17-19H2,1-4H3
InChIKey
RDGUHQJBFKFPRI-UHFFFAOYSA-N
Compound name
3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

420.2633 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.27058 203.5
[M+Na]+ 443.25252 212.6
[M+NH4]+ 438.29712 211.1
[M+K]+ 459.22646 201.9
[M-H]- 419.25602 206.2
[M+Na-2H]- 441.23797 205.9
[M]+ 420.26275 206.5
[M]- 420.26385 206.5
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

patents stripe