CID 5018499

N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)NCC3=CC=CC=C3
InChI
InChI=1S/C16H16N2OS/c1-2-19-13-8-9-14-15(10-13)20-16(18-14)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,18)
InChIKey
WGWKHFGRLSGXBF-UHFFFAOYSA-N
Compound name
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

284.09833 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 162.8
[M+Na]+ 307.08755 177.6
[M+NH4]+ 302.13215 172.6
[M+K]+ 323.06149 168.4
[M-H]- 283.09105 168.5
[M+Na-2H]- 305.07300 172.1
[M]+ 284.09778 167.2
[M]- 284.09888 167.2
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