CID 3056527

73790-79-1

Structural Information

Molecular Formula
C18H30N2S
SMILES
CC(C)SC1=CC=CC=C1N(C)CCCN2CCCCC2
InChI
InChI=1S/C18H30N2S/c1-16(2)21-18-11-6-5-10-17(18)19(3)12-9-15-20-13-7-4-8-14-20/h5-6,10-11,16H,4,7-9,12-15H2,1-3H3
InChIKey
BJIKUOYJEUOUQU-UHFFFAOYSA-N
Compound name
N-methyl-N-(3-piperidin-1-ylpropyl)-2-propan-2-ylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.21298 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22026 174.6
[M+Na]+ 329.20220 185.1
[M+NH4]+ 324.24680 183.5
[M+K]+ 345.17614 175.3
[M-H]- 305.20570 179.7
[M+Na-2H]- 327.18765 181.0
[M]+ 306.21243 178.0
[M]- 306.21353 178.0
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.