CID 580365

57946-69-7

Structural Information

Molecular Formula
C22H39NS
SMILES
CCCCCCCCCCCCCCCCSC1=CC=CC(=C1)N
InChI
InChI=1S/C22H39NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-22-18-16-17-21(23)20-22/h16-18,20H,2-15,19,23H2,1H3
InChIKey
SRIWTNIWYDUONL-UHFFFAOYSA-N
Compound name
3-hexadecylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.28033 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.28761 191.4
[M+Na]+ 372.26955 200.9
[M+NH4]+ 367.31415 199.1
[M+K]+ 388.24349 188.6
[M-H]- 348.27305 194.6
[M+Na-2H]- 370.25500 195.1
[M]+ 349.27978 194.1
[M]- 349.28088 194.1
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.