CID 384525

4-(1,3-benzothiazol-2-yl)-2-methylaniline

Structural Information

Molecular Formula
C14H12N2S
SMILES
CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N
InChI
InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
InChIKey
IDBCUMFOZBUJCL-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

70
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

literature stripe

Patent stripe

patents stripe