CID 5271004

Schembl7118149

Structural Information

Molecular Formula
C20H19FN2S
SMILES
CN(CC=C)CC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H19FN2S/c1-3-12-23(2)13-15-4-6-16(7-5-15)19-14-24-20(22-19)17-8-10-18(21)11-9-17/h3-11,14H,1,12-13H2,2H3
InChIKey
PEFPAHUTSLINQM-UHFFFAOYSA-N
Compound name
N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]-N-methylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.1253 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13258 179.3
[M+Na]+ 361.11452 187.8
[M-H]- 337.11802 188.2
[M+NH4]+ 356.15912 194.4
[M+K]+ 377.08846 181.2
[M+H-H2O]+ 321.12256 169.4
[M+HCOO]- 383.12350 198.3
[M+CH3COO]- 397.13915 190.5
[M+Na-2H]- 359.09997 178.2
[M]+ 338.12475 181.7
[M]- 338.12585 181.7
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