CID 110900

6547-50-8

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CN(C1CCC2=CC=CC=C12)C(=O)CCN3CCOCC3
InChI
InChI=1S/C17H24N2O2/c1-18(16-7-6-14-4-2-3-5-15(14)16)17(20)8-9-19-10-12-21-13-11-19/h2-5,16H,6-13H2,1H3
InChIKey
XFPDFBFQJRMKDU-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-morpholin-4-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 169.7
[M+Na]+ 311.17300 172.3
[M-H]- 287.17650 176.1
[M+NH4]+ 306.21760 184.9
[M+K]+ 327.14694 171.0
[M+H-H2O]+ 271.18104 160.9
[M+HCOO]- 333.18198 186.7
[M+CH3COO]- 347.19763 205.4
[M+Na-2H]- 309.15845 170.9
[M]+ 288.18323 167.0
[M]- 288.18433 167.0
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.