CID 201989

Brn 1657200

Structural Information

Molecular Formula
C20H29NO2
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)N2CCCC2
InChI
InChI=1S/C20H29NO2/c1-4-9-16-14-18(20(22)21-11-7-8-12-21)15-17(10-5-2)19(16)23-13-6-3/h6,14-15H,3-5,7-13H2,1-2H3
InChIKey
YRETXZLIRFNKRK-UHFFFAOYSA-N
Compound name
(4-prop-2-enoxy-3,5-dipropylphenyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 180.9
[M+Na]+ 338.20904 191.4
[M+NH4]+ 333.25364 187.5
[M+K]+ 354.18298 185.5
[M-H]- 314.21254 183.0
[M+Na-2H]- 336.19449 184.7
[M]+ 315.21927 182.8
[M]- 315.22037 182.8
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.