CID 721019

292644-35-0

Structural Information

Molecular Formula
C14H12N2S
SMILES
CC1=C(C=CC=C1N)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C14H12N2S/c1-9-10(5-4-6-11(9)15)14-16-12-7-2-3-8-13(12)17-14/h2-8H,15H2,1H3
InChIKey
BJDZJFVKBZFUDI-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.07211 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07939 150.6
[M+Na]+ 263.06133 162.6
[M-H]- 239.06483 158.1
[M+NH4]+ 258.10593 170.7
[M+K]+ 279.03527 156.5
[M+H-H2O]+ 223.06937 144.0
[M+HCOO]- 285.07031 171.4
[M+CH3COO]- 299.08596 164.6
[M+Na-2H]- 261.04678 154.7
[M]+ 240.07156 153.5
[M]- 240.07266 153.5
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

No patent data available for this compound.