CID 579726

N-hexyl-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C13H18N2S
SMILES
CCCCCCNC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C13H18N2S/c1-2-3-4-7-10-14-13-15-11-8-5-6-9-12(11)16-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,15)
InChIKey
HKMIIJUEEMKHRJ-UHFFFAOYSA-N
Compound name
N-hexyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

234.11906 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 151.0
[M+Na]+ 257.10828 160.0
[M-H]- 233.11178 154.5
[M+NH4]+ 252.15288 171.3
[M+K]+ 273.08222 155.3
[M+H-H2O]+ 217.11632 144.3
[M+HCOO]- 279.11726 171.1
[M+CH3COO]- 293.13291 192.8
[M+Na-2H]- 255.09373 155.5
[M]+ 234.11851 156.1
[M]- 234.11961 156.1
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