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]+ 287.21178 171.7
[M+Na]+ 309.19372 175.7
[M-H]- 285.19722 177.5
[M+NH4]+ 304.23832 193.0
[M+K]+ 325.16766 172.6
[M+H-H2O]+ 269.20176 165.2
[M+HCOO]- 331.20270 193.3
[M+CH3COO]- 345.21835 211.0
[M+Na-2H]- 307.17917 171.7
[M]+ 286.20395 171.5
[M]- 286.20505 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.