CID 13342005

1629-68-1

Structural Information

Molecular Formula
C14H12N2S
SMILES
C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3S2)N
InChI
InChI=1S/C14H12N2S/c15-13(10-6-2-1-3-7-10)14-16-11-8-4-5-9-12(11)17-14/h1-9,13H,15H2
InChIKey
LCUXOKKXLIBQKQ-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-yl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.07211 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07939 150.5
[M+Na]+ 263.06133 160.3
[M-H]- 239.06483 157.2
[M+NH4]+ 258.10593 169.8
[M+K]+ 279.03527 154.8
[M+H-H2O]+ 223.06937 143.6
[M+HCOO]- 285.07031 170.3
[M+CH3COO]- 299.08596 163.6
[M+Na-2H]- 261.04678 155.0
[M]+ 240.07156 151.9
[M]- 240.07266 151.9
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