CID 3038209

32417-24-6

Structural Information

Molecular Formula
C19H30N2OS
SMILES
CC(C)CCOC1=CC=C(C=C1)C(=S)NCCCN2CCCC2
InChI
InChI=1S/C19H30N2OS/c1-16(2)10-15-22-18-8-6-17(7-9-18)19(23)20-11-5-14-21-12-3-4-13-21/h6-9,16H,3-5,10-15H2,1-2H3,(H,20,23)
InChIKey
ZPIHYQKDDDTVKU-UHFFFAOYSA-N
Compound name
4-(3-methylbutoxy)-N-(3-pyrrolidin-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 184.2
[M+Na]+ 357.19712 186.7
[M-H]- 333.20062 188.0
[M+NH4]+ 352.24172 198.4
[M+K]+ 373.17106 182.2
[M+H-H2O]+ 317.20516 175.7
[M+HCOO]- 379.20610 197.8
[M+CH3COO]- 393.22175 212.0
[M+Na-2H]- 355.18257 179.9
[M]+ 334.20735 185.0
[M]- 334.20845 185.0
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.