CID 3033516

Benzamide, p-isopropoxy-n-(2-pyrrolidinylethyl)thio-

Structural Information

Molecular Formula
C16H24N2OS
SMILES
CC(C)OC1=CC=C(C=C1)C(=S)NCCN2CCCC2
InChI
InChI=1S/C16H24N2OS/c1-13(2)19-15-7-5-14(6-8-15)16(20)17-9-12-18-10-3-4-11-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,20)
InChIKey
OMJZNMQWGQZWHI-UHFFFAOYSA-N
Compound name
4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16095 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16823 171.3
[M+Na]+ 315.15017 175.1
[M-H]- 291.15367 175.7
[M+NH4]+ 310.19477 187.2
[M+K]+ 331.12411 171.4
[M+H-H2O]+ 275.15821 163.3
[M+HCOO]- 337.15915 185.9
[M+CH3COO]- 351.17480 203.1
[M+Na-2H]- 313.13562 168.5
[M]+ 292.16040 171.1
[M]- 292.16150 171.1
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.