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]+ 299.211776 175.4
[M+Na]+ 321.193718 178.5
[M-H]- 297.197224 181.8
[M+NH4]+ 316.238323 195.7
[M+K]+ 337.167658 174.6
[M+H-H2O]+ 281.201760 168.6
[M+HCOO]- 343.202701 192.3
[M+CH3COO]- 357.218351 185.1
[M+Na-2H]- 319.179166 171.1
[M]+ 298.20395142 170.6
[M]- 298.20504858 170.6
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.