CID 3342412

105512-83-2

Structural Information

Molecular Formula
C16H14N2OS
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C16H14N2OS/c17-16-18-15(11-20-16)13-6-8-14(9-7-13)19-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
InChIKey
WIHRKMVWGOESGZ-UHFFFAOYSA-N
Compound name
4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

282.08267 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 162.5
[M+Na]+ 305.07189 171.4
[M-H]- 281.07539 171.2
[M+NH4]+ 300.11649 178.9
[M+K]+ 321.04583 165.6
[M+H-H2O]+ 265.07993 154.3
[M+HCOO]- 327.08087 183.0
[M+CH3COO]- 341.09652 174.8
[M+Na-2H]- 303.05734 164.6
[M]+ 282.08212 164.0
[M]- 282.08322 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe