CID 54339

Fanetizole

Structural Information

Molecular Formula
C17H16N2S
SMILES
C1=CC=C(C=C1)CCNC2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2S/c1-3-7-14(8-4-1)11-12-18-17-19-16(13-20-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,18,19)
InChIKey
WEEYMMXMBFJUAI-UHFFFAOYSA-N
Compound name
4-phenyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

193
Patents

280.10342 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11070 162.5
[M+Na]+ 303.09264 170.3
[M-H]- 279.09614 171.2
[M+NH4]+ 298.13724 179.0
[M+K]+ 319.06658 164.0
[M+H-H2O]+ 263.10068 154.0
[M+HCOO]- 325.10162 183.1
[M+CH3COO]- 339.11727 174.5
[M+Na-2H]- 301.07809 165.7
[M]+ 280.10287 163.5
[M]- 280.10397 163.5
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