CID 3071792

Vufb 17,772

Structural Information

Molecular Formula
C18H23FN2S
SMILES
CN(C)CCN(C)CC1=CC=CC=C1SC2=CC=CC=C2F
InChI
InChI=1S/C18H23FN2S/c1-20(2)12-13-21(3)14-15-8-4-6-10-17(15)22-18-11-7-5-9-16(18)19/h4-11H,12-14H2,1-3H3
InChIKey
CJURUNISWCKFPK-UHFFFAOYSA-N
Compound name
N'-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.1566 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16388 174.6
[M+Na]+ 341.14582 186.6
[M+NH4]+ 336.19042 183.4
[M+K]+ 357.11976 176.3
[M-H]- 317.14932 180.2
[M+Na-2H]- 339.13127 183.2
[M]+ 318.15605 178.4
[M]- 318.15715 178.4
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

No patent data available for this compound.