CID 3038206

Brn 1651807

Structural Information

Molecular Formula
C19H30N2OS
SMILES
CC(C)CCOC1=CC=C(C=C1)C(=S)NCCN2CCCCC2
InChI
InChI=1S/C19H30N2OS/c1-16(2)10-15-22-18-8-6-17(7-9-18)19(23)20-11-14-21-12-4-3-5-13-21/h6-9,16H,3-5,10-15H2,1-2H3,(H,20,23)
InChIKey
HXEDMYLFVCTMIJ-UHFFFAOYSA-N
Compound name
4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2079 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21518 181.6
[M+Na]+ 357.19712 190.8
[M+NH4]+ 352.24172 189.1
[M+K]+ 373.17106 181.6
[M-H]- 333.20062 185.3
[M+Na-2H]- 355.18257 186.6
[M]+ 334.20735 184.2
[M]- 334.20845 184.2
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.