CID 3038200

Benzamide, p-propoxy-n-(3-pyrrolidinylpropyl)thio-

Structural Information

Molecular Formula
C17H26N2OS
SMILES
CCCOC1=CC=C(C=C1)C(=S)NCCCN2CCCC2
InChI
InChI=1S/C17H26N2OS/c1-2-14-20-16-8-6-15(7-9-16)17(21)18-10-5-13-19-11-3-4-12-19/h6-9H,2-5,10-14H2,1H3,(H,18,21)
InChIKey
ZYBDNTXATMHQQB-UHFFFAOYSA-N
Compound name
4-propoxy-N-(3-pyrrolidin-1-ylpropyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17657 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18385 174.9
[M+Na]+ 329.16579 178.7
[M-H]- 305.16929 179.1
[M+NH4]+ 324.21039 190.4
[M+K]+ 345.13973 174.1
[M+H-H2O]+ 289.17383 166.6
[M+HCOO]- 351.17477 190.3
[M+CH3COO]- 365.19042 205.2
[M+Na-2H]- 327.15124 172.7
[M]+ 306.17602 175.6
[M]- 306.17712 175.6
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.