CID 13217337

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(2,5-dimethoxyphenyl)-, hydrochloride, hydrate (1:1:1)

Structural Information

Molecular Formula
C17H24N2O3
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)CC23CCCN2CCC3
InChI
InChI=1S/C17H24N2O3/c1-21-13-5-6-15(22-2)14(11-13)18-16(20)12-17-7-3-9-19(17)10-4-8-17/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,20)
InChIKey
CPNIDZAJADNNBE-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.17868 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 172.0
[M+Na]+ 327.167898 177.0
[M-H]- 303.171404 177.8
[M+NH4]+ 322.212503 191.6
[M+K]+ 343.141838 174.4
[M+H-H2O]+ 287.175940 164.9
[M+HCOO]- 349.176881 192.0
[M+CH3COO]- 363.192531 204.5
[M+Na-2H]- 325.153346 172.7
[M]+ 304.17813142 172.0
[M]- 304.17922858 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.