CID 3058668

75463-42-2

Structural Information

Molecular Formula
C19H26N2O
SMILES
C1CCN(CC1)CC(=O)NC2CCC3=C2C=C4CCCC4=C3
InChI
InChI=1S/C19H26N2O/c22-19(13-21-9-2-1-3-10-21)20-18-8-7-16-11-14-5-4-6-15(14)12-17(16)18/h11-12,18H,1-10,13H2,(H,20,22)
InChIKey
KJYHTMYAKRIPLQ-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
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 172.5
[M+Na]+ 321.19372 175.1
[M-H]- 297.19722 177.9
[M+NH4]+ 316.23832 190.9
[M+K]+ 337.16766 170.3
[M+H-H2O]+ 281.20176 164.5
[M+HCOO]- 343.20270 188.1
[M+CH3COO]- 357.21835 181.6
[M+Na-2H]- 319.17917 171.0
[M]+ 298.20395 165.8
[M]- 298.20505 165.8
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

patents stripe