CID 49813

Vufb-10595

Structural Information

Molecular Formula
C20H29NO
SMILES
CCCN(CCC)CC(=O)C1=C2CCCC2=CC3=C1CCC3
InChI
InChI=1S/C20H29NO/c1-3-11-21(12-4-2)14-19(22)20-17-9-5-7-15(17)13-16-8-6-10-18(16)20/h13H,3-12,14H2,1-2H3
InChIKey
OCWWBLZEPRWRMS-UHFFFAOYSA-N
Compound name
2-(dipropylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 175.7
[M+Na]+ 322.21412 184.2
[M+NH4]+ 317.25872 184.8
[M+K]+ 338.18806 180.2
[M-H]- 298.21762 178.5
[M+Na-2H]- 320.19957 177.5
[M]+ 299.22435 177.5
[M]- 299.22545 177.5
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.