CID 3056524

73790-77-9

Structural Information

Molecular Formula
C17H28N2S
SMILES
CCSC1=CC=CC=C1N(C)CCCN2CCCCC2
InChI
InChI=1S/C17H28N2S/c1-3-20-17-11-6-5-10-16(17)18(2)12-9-15-19-13-7-4-8-14-19/h5-6,10-11H,3-4,7-9,12-15H2,1-2H3
InChIKey
QFTAVWLZUWVDQK-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-N-methyl-N-(3-piperidin-1-ylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.19733 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20461 170.5
[M+Na]+ 315.18655 173.2
[M-H]- 291.19005 175.3
[M+NH4]+ 310.23115 185.2
[M+K]+ 331.16049 169.5
[M+H-H2O]+ 275.19459 161.3
[M+HCOO]- 337.19553 184.6
[M+CH3COO]- 351.21118 207.7
[M+Na-2H]- 313.17200 170.2
[M]+ 292.19678 170.0
[M]- 292.19788 170.0
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.