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 175.4
[M+Na]+ 321.19372 178.5
[M-H]- 297.19722 181.8
[M+NH4]+ 316.23832 195.7
[M+K]+ 337.16766 174.6
[M+H-H2O]+ 281.20176 168.6
[M+HCOO]- 343.20270 192.3
[M+CH3COO]- 357.21835 185.1
[M+Na-2H]- 319.17917 171.1
[M]+ 298.20395 170.6
[M]- 298.20505 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.