CID 176005

2(3h)-benzothiazolethione, 3-((bis(2-ethylhexyl)amino)methyl)-

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 204.5
[M+Na]+ 443.25252 209.0
[M-H]- 419.25602 207.3
[M+NH4]+ 438.29712 218.0
[M+K]+ 459.22646 202.4
[M+H-H2O]+ 403.26056 196.3
[M+HCOO]- 465.26150 213.5
[M+CH3COO]- 479.27715 234.3
[M+Na-2H]- 441.23797 198.8
[M]+ 420.26275 213.8
[M]- 420.26385 213.8
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

patents stripe