CID 5463784

N-(1,1-dimethylpropyl)-2-benzothiazolesulfenamide

Structural Information

Molecular Formula
C12H16N2S2
SMILES
CCC(C)(C)NSC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C12H16N2S2/c1-4-12(2,3)14-16-11-13-9-7-5-6-8-10(9)15-11/h5-8,14H,4H2,1-3H3
InChIKey
WVVKGODKQODIJB-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

252.07549 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08277 155.3
[M+Na]+ 275.06471 166.7
[M+NH4]+ 270.10931 164.9
[M+K]+ 291.03865 157.5
[M-H]- 251.06821 158.2
[M+Na-2H]- 273.05016 160.8
[M]+ 252.07494 158.8
[M]- 252.07604 158.8
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