CID 2404858

N-(2-phenylethyl)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C15H14N2S
SMILES
C1=CC=C(C=C1)CCNC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H,16,17)
InChIKey
ZONFDQCCZSBEFC-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

254.08777 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09505 154.4
[M+Na]+ 277.07699 169.5
[M+NH4]+ 272.12159 165.0
[M+K]+ 293.05093 159.8
[M-H]- 253.08049 160.6
[M+Na-2H]- 275.06244 164.7
[M]+ 254.08722 159.0
[M]- 254.08832 159.0
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