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]+ 316.227096 180.3
[M+Na]+ 338.209038 185.2
[M-H]- 314.212544 184.6
[M+NH4]+ 333.253643 195.4
[M+K]+ 354.182978 180.7
[M+H-H2O]+ 298.217080 172.0
[M+HCOO]- 360.218021 199.0
[M+CH3COO]- 374.233671 209.2
[M+Na-2H]- 336.194486 177.3
[M]+ 315.21927142 181.8
[M]- 315.22036858 181.8
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.