CID 3069956

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-alpha-methyl-1-pyrrolidineacetamide hcl hemihydrate

Structural Information

Molecular Formula
C19H26N2O
SMILES
CC(C(=O)NC1=C2CCCC2=CC3=C1CCC3)N4CCCC4
InChI
InChI=1S/C19H26N2O/c1-13(21-10-2-3-11-21)19(22)20-18-16-8-4-6-14(16)12-15-7-5-9-17(15)18/h12-13H,2-11H2,1H3,(H,20,22)
InChIKey
ZGDMLUXKVUAPMH-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 173.3
[M+Na]+ 321.19372 180.4
[M+NH4]+ 316.23832 182.1
[M+K]+ 337.16766 179.7
[M-H]- 297.19722 176.4
[M+Na-2H]- 319.17917 175.1
[M]+ 298.20395 174.8
[M]- 298.20505 174.8
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.