CID 935400

4-(benzo(d)thiazol-2-ylmethoxy)-2-methylaniline

Structural Information

Molecular Formula
C15H14N2OS
SMILES
CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N
InChI
InChI=1S/C15H14N2OS/c1-10-8-11(6-7-12(10)16)18-9-15-17-13-4-2-3-5-14(13)19-15/h2-8H,9,16H2,1H3
InChIKey
VRRXFBYQWMLHGE-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-ylmethoxy)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

270.08267 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08995 158.7
[M+Na]+ 293.07189 169.9
[M-H]- 269.07539 165.9
[M+NH4]+ 288.11649 177.4
[M+K]+ 309.04583 164.2
[M+H-H2O]+ 253.07993 151.6
[M+HCOO]- 315.08087 179.3
[M+CH3COO]- 329.09652 172.0
[M+Na-2H]- 291.05734 162.4
[M]+ 270.08212 163.2
[M]- 270.08322 163.2
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