CID 7228

95-29-4

Structural Information

Molecular Formula
C13H18N2S2
SMILES
CC(C)N(C(C)C)SC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C13H18N2S2/c1-9(2)15(10(3)4)17-13-14-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3
InChIKey
ILSQBBRAYMWZLQ-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-ylsulfanyl)-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

3742
Patents

266.09116 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09844 157.9
[M+Na]+ 289.08038 166.4
[M-H]- 265.08388 162.7
[M+NH4]+ 284.12498 177.6
[M+K]+ 305.05432 163.0
[M+H-H2O]+ 249.08842 151.6
[M+HCOO]- 311.08936 170.4
[M+CH3COO]- 325.10501 202.4
[M+Na-2H]- 287.06583 157.9
[M]+ 266.09061 164.0
[M]- 266.09171 164.0
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