CID 3069962

85564-94-9

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCN(CC)CCC(=O)NC1=C2CCCC2=CC3=C1CCC3
InChI
InChI=1S/C19H28N2O/c1-3-21(4-2)12-11-18(22)20-19-16-9-5-7-14(16)13-15-8-6-10-17(15)19/h13H,3-12H2,1-2H3,(H,20,22)
InChIKey
LKHPUPNUFHNHKA-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 176.4
[M+Na]+ 323.20937 179.9
[M-H]- 299.21287 181.9
[M+NH4]+ 318.25397 197.0
[M+K]+ 339.18331 176.6
[M+H-H2O]+ 283.21741 169.6
[M+HCOO]- 345.21835 197.6
[M+CH3COO]- 359.23400 214.0
[M+Na-2H]- 321.19482 175.8
[M]+ 300.21960 176.4
[M]- 300.22070 176.4
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.