CID 465312

1,3-bis-3-(5-chloro-2-mercaptobenzothiazolyl)propyl-1,1,3,3-tetramethyl disiloxane

Structural Information

Molecular Formula
C24H30Cl2N2OS4Si2
SMILES
C[Si](C)(CCCSC1=NC2=C(S1)C=CC(=C2)Cl)O[Si](C)(C)CCCSC3=NC4=C(S3)C=CC(=C4)Cl
InChI
InChI=1S/C24H30Cl2N2OS4Si2/c1-34(2,13-5-11-30-23-27-19-15-17(25)7-9-21(19)32-23)29-35(3,4)14-6-12-31-24-28-20-16-18(26)8-10-22(20)33-24/h7-10,15-16H,5-6,11-14H2,1-4H3
InChIKey
JZADMGFVHDUJSP-UHFFFAOYSA-N
Compound name
3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propyl-[3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propyl-dimethylsilyl]oxy-dimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.0157 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.02298 239.5
[M+Na]+ 639.00492 250.5
[M-H]- 615.00842 243.9
[M+NH4]+ 634.04952 249.6
[M+K]+ 654.97886 240.7
[M+H-H2O]+ 599.01296 236.1
[M+HCOO]- 661.01390 230.0
[M+CH3COO]- 675.02955 244.8
[M+Na-2H]- 636.99037 238.7
[M]+ 616.01515 250.7
[M]- 616.01625 250.7
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.