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 154.3
[M+Na]+ 275.06471 164.3
[M-H]- 251.06821 157.8
[M+NH4]+ 270.10931 174.2
[M+K]+ 291.03865 159.1
[M+H-H2O]+ 235.07275 148.6
[M+HCOO]- 297.07369 167.5
[M+CH3COO]- 311.08934 194.8
[M+Na-2H]- 273.05016 157.9
[M]+ 252.07494 159.4
[M]- 252.07604 159.4
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