CID 3038202

P-isobutoxy-n-(3-piperidinopropyl)thiobenzamide

Structural Information

Molecular Formula
C19H30N2OS
SMILES
CC(C)COC1=CC=C(C=C1)C(=S)NCCCN2CCCCC2
InChI
InChI=1S/C19H30N2OS/c1-16(2)15-22-18-9-7-17(8-10-18)19(23)20-11-6-14-21-12-4-3-5-13-21/h7-10,16H,3-6,11-15H2,1-2H3,(H,20,23)
InChIKey
DACJEAYVFNGQMJ-UHFFFAOYSA-N
Compound name
4-(2-methylpropoxy)-N-(3-piperidin-1-ylpropyl)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 182.1
[M+Na]+ 357.19712 183.4
[M-H]- 333.20062 185.2
[M+NH4]+ 352.24172 194.1
[M+K]+ 373.17106 178.7
[M+H-H2O]+ 317.20516 173.0
[M+HCOO]- 379.20610 193.4
[M+CH3COO]- 393.22175 212.5
[M+Na-2H]- 355.18257 179.5
[M]+ 334.20735 180.5
[M]- 334.20845 180.5
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.