CID 7230

N-tert-butyl-2-benzothiazolesulfenamide

Structural Information

Molecular Formula
C11H14N2S2
SMILES
CC(C)(C)NSC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3
InChIKey
IUJLOAKJZQBENM-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

23973
Patents

238.05984 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06712 150.2
[M+Na]+ 261.04906 160.8
[M-H]- 237.05256 154.1
[M+NH4]+ 256.09366 170.8
[M+K]+ 277.02300 155.8
[M+H-H2O]+ 221.05710 144.8
[M+HCOO]- 283.05804 163.8
[M+CH3COO]- 297.07369 191.2
[M+Na-2H]- 259.03451 154.3
[M]+ 238.05929 154.9
[M]- 238.06039 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe