CID 7087

92-36-4

Structural Information

Molecular Formula
C14H12N2S
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3
InChIKey
XRTJYEIMLZALBD-UHFFFAOYSA-N
Compound name
4-(6-methyl-1,3-benzothiazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

1246
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