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]+ 305.18596 172.0
[M+Na]+ 327.16790 177.0
[M-H]- 303.17140 177.8
[M+NH4]+ 322.21250 191.6
[M+K]+ 343.14184 174.4
[M+H-H2O]+ 287.17594 164.9
[M+HCOO]- 349.17688 192.0
[M+CH3COO]- 363.19253 204.5
[M+Na-2H]- 325.15335 172.7
[M]+ 304.17813 172.0
[M]- 304.17923 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.