CID 3069949

85564-80-3

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCN(CC)CC(=O)NC1=C2CCCC2=CC3=C1CCC3
InChI
InChI=1S/C18H26N2O/c1-3-20(4-2)12-17(21)19-18-15-9-5-7-13(15)11-14-8-6-10-16(14)18/h11H,3-10,12H2,1-2H3,(H,19,21)
InChIKey
CWEKKPSKVLRPTO-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.211776 171.7
[M+Na]+ 309.193718 175.7
[M-H]- 285.197224 177.5
[M+NH4]+ 304.238323 193.0
[M+K]+ 325.167658 172.6
[M+H-H2O]+ 269.201760 165.2
[M+HCOO]- 331.202701 193.3
[M+CH3COO]- 345.218351 211.0
[M+Na-2H]- 307.179166 171.7
[M]+ 286.20395142 171.5
[M]- 286.20504858 171.5
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.