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

35
Patents

234.11906 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.126336 151.0
[M+Na]+ 257.108278 160.0
[M-H]- 233.111784 154.5
[M+NH4]+ 252.152883 171.3
[M+K]+ 273.082218 155.3
[M+H-H2O]+ 217.116320 144.3
[M+HCOO]- 279.117261 171.1
[M+CH3COO]- 293.132911 192.8
[M+Na-2H]- 255.093726 155.5
[M]+ 234.11851142 156.1
[M]- 234.11960858 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