CID 3078998

Benzenamine, n,n-dimethyl-2'-(((1-(3-fluorophenyl)-1h-imidazol-2-yl)thio)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H18FN3S
SMILES
CN(C)C1=CC=CC=C1CSC2=NC=CN2C3=CC(=CC=C3)F
InChI
InChI=1S/C18H18FN3S/c1-21(2)17-9-4-3-6-14(17)13-23-18-20-10-11-22(18)16-8-5-7-15(19)12-16/h3-12H,13H2,1-2H3
InChIKey
ZYVLSLDHBDECLR-UHFFFAOYSA-N
Compound name
2-[[1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.12054 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12782 175.3
[M+Na]+ 350.10976 189.3
[M+NH4]+ 345.15436 183.6
[M+K]+ 366.08370 180.6
[M-H]- 326.11326 180.7
[M+Na-2H]- 348.09521 184.9
[M]+ 327.11999 179.4
[M]- 327.12109 179.4
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