CID 3069954

85564-85-8

Structural Information

Molecular Formula
C18H24N2O2
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)NC(=O)CN4CCOCC4
InChI
InChI=1S/C18H24N2O2/c21-17(12-20-7-9-22-10-8-20)19-18-15-5-1-3-13(15)11-14-4-2-6-16(14)18/h11H,1-10,12H2,(H,19,21)
InChIKey
AAEOOQKLYOAAFU-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 170.5
[M+Na]+ 323.17300 173.6
[M-H]- 299.17650 176.7
[M+NH4]+ 318.21760 187.5
[M+K]+ 339.14694 170.5
[M+H-H2O]+ 283.18104 163.0
[M+HCOO]- 345.18198 185.8
[M+CH3COO]- 359.19763 180.1
[M+Na-2H]- 321.15845 170.3
[M]+ 300.18323 165.6
[M]- 300.18433 165.6
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.