CID 780598

4-(4-phenoxy-phenyl)-thiazol-2-ylamine

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C15H12N2OS/c16-15-17-14(10-19-15)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H,(H2,16,17)
InChIKey
AZZJNMYKYSAYPZ-UHFFFAOYSA-N
Compound name
4-(4-phenoxyphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

18
Patents

268.06705 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07433 158.1
[M+Na]+ 291.05627 167.5
[M-H]- 267.05977 167.1
[M+NH4]+ 286.10087 175.1
[M+K]+ 307.03021 161.9
[M+H-H2O]+ 251.06431 150.1
[M+HCOO]- 313.06525 179.0
[M+CH3COO]- 327.08090 170.9
[M+Na-2H]- 289.04172 160.8
[M]+ 268.06650 159.4
[M]- 268.06760 159.4
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