CID 5387743

(e)-n-(2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl)-3-(4-methoxyphenyl)prop-2-enamide

Structural Information

Molecular Formula
C17H22N2O2
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)NC2CCN3C2CCC3
InChI
InChI=1S/C17H22N2O2/c1-21-14-7-4-13(5-8-14)6-9-17(20)18-15-10-12-19-11-2-3-16(15)19/h4-9,15-16H,2-3,10-12H2,1H3,(H,18,20)/b9-6+
InChIKey
SBFIICJNXKHXND-RMKNXTFCSA-N
Compound name
(E)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-(4-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 169.4
[M+Na]+ 309.15734 173.9
[M-H]- 285.16084 174.9
[M+NH4]+ 304.20194 187.7
[M+K]+ 325.13128 170.0
[M+H-H2O]+ 269.16538 161.7
[M+HCOO]- 331.16632 189.3
[M+CH3COO]- 345.18197 201.5
[M+Na-2H]- 307.14279 168.6
[M]+ 286.16757 166.8
[M]- 286.16867 166.8
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.