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]+ 299.21178 174.4
[M+Na]+ 321.19372 177.8
[M-H]- 297.19722 180.7
[M+NH4]+ 316.23832 194.7
[M+K]+ 337.16766 173.5
[M+H-H2O]+ 281.20176 167.3
[M+HCOO]- 343.20270 192.4
[M+CH3COO]- 357.21835 184.2
[M+Na-2H]- 319.17917 171.3
[M]+ 298.20395 170.2
[M]- 298.20505 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.