CID 3071797

Vufb 17,784

Structural Information

Molecular Formula
C18H23FN2S
SMILES
CN(C)CCN(C)CC1=CC=CC=C1SC2=CC=C(C=C2)F
InChI
InChI=1S/C18H23FN2S/c1-20(2)12-13-21(3)14-15-6-4-5-7-18(15)22-17-10-8-16(19)9-11-17/h4-11H,12-14H2,1-3H3
InChIKey
KNRPNERHPNHTFL-UHFFFAOYSA-N
Compound name
N'-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 174.8
[M+Na]+ 341.14582 180.3
[M-H]- 317.14932 182.3
[M+NH4]+ 336.19042 190.4
[M+K]+ 357.11976 176.5
[M+H-H2O]+ 301.15386 164.7
[M+HCOO]- 363.15480 194.3
[M+CH3COO]- 377.17045 219.1
[M+Na-2H]- 339.13127 175.2
[M]+ 318.15605 178.2
[M]- 318.15715 178.2
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

No patent data available for this compound.