CID 3056528

73790-80-4

Structural Information

Molecular Formula
C16H26N2S
SMILES
CN(CCCN1CCCCC1)C2=CC=CC=C2SC
InChI
InChI=1S/C16H26N2S/c1-17(15-9-4-5-10-16(15)19-2)11-8-14-18-12-6-3-7-13-18/h4-5,9-10H,3,6-8,11-14H2,1-2H3
InChIKey
XSTJZSWXHWOVAA-UHFFFAOYSA-N
Compound name
N-methyl-2-methylsulfanyl-N-(3-piperidin-1-ylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.18167 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18895 166.1
[M+Na]+ 301.17089 169.4
[M-H]- 277.17439 171.2
[M+NH4]+ 296.21549 181.5
[M+K]+ 317.14483 165.8
[M+H-H2O]+ 261.17893 157.2
[M+HCOO]- 323.17987 180.6
[M+CH3COO]- 337.19552 204.7
[M+Na-2H]- 299.15634 166.4
[M]+ 278.18112 165.3
[M]- 278.18222 165.3
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.