CID 827232

1-pyrrolidinepropanamide, n-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, monohydrochloride

Structural Information

Molecular Formula
C19H26N2O
SMILES
C1CCN(C1)CCC(=O)NC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C19H26N2O/c22-18(9-12-21-10-1-2-11-21)20-19-16-7-3-5-14(16)13-15-6-4-8-17(15)19/h13H,1-12H2,(H,20,22)
InChIKey
UKLAGNISAUBECO-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.211776 174.4
[M+Na]+ 321.193718 177.8
[M-H]- 297.197224 180.7
[M+NH4]+ 316.238323 194.7
[M+K]+ 337.167658 173.5
[M+H-H2O]+ 281.201760 167.3
[M+HCOO]- 343.202701 192.4
[M+CH3COO]- 357.218351 184.2
[M+Na-2H]- 319.179166 171.3
[M]+ 298.20395142 170.2
[M]- 298.20504858 170.2
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.