CID 124238

113759-19-6

Structural Information

Molecular Formula
C18H17FN2S
SMILES
CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=CSC(=N3)NC
InChI
InChI=1S/C18H17FN2S/c1-12(17-11-22-18(20-2)21-17)14-8-9-15(16(19)10-14)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)
InChIKey
ZTFDMDJGJVUYQE-UHFFFAOYSA-N
Compound name
4-[1-(3-fluoro-4-phenylphenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

37
Patents

312.10965 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11693 170.5
[M+Na]+ 335.09887 179.1
[M-H]- 311.10237 178.4
[M+NH4]+ 330.14347 186.1
[M+K]+ 351.07281 172.7
[M+H-H2O]+ 295.10691 161.3
[M+HCOO]- 357.10785 188.5
[M+CH3COO]- 371.12350 182.0
[M+Na-2H]- 333.08432 170.2
[M]+ 312.10910 171.2
[M]- 312.11020 171.2
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