CID 972841

N-(2,4-dimethoxyphenyl)-4-(pyridin-2-yl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
COC1=CC(=C(C=C1)NC2=NC(=CS2)C3=CC=CC=N3)OC
InChI
InChI=1S/C16H15N3O2S/c1-20-11-6-7-13(15(9-11)21-2)18-16-19-14(10-22-16)12-5-3-4-8-17-12/h3-10H,1-2H3,(H,18,19)
InChIKey
RTFHFGKMSQBITM-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

313.0885 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09578 169.7
[M+Na]+ 336.07772 179.1
[M-H]- 312.08122 177.9
[M+NH4]+ 331.12232 183.8
[M+K]+ 352.05166 174.0
[M+H-H2O]+ 296.08576 160.6
[M+HCOO]- 358.08670 189.6
[M+CH3COO]- 372.10235 181.6
[M+Na-2H]- 334.06317 172.2
[M]+ 313.08795 174.4
[M]- 313.08905 174.4
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