CID 49825

67367-81-1

Structural Information

Molecular Formula
C18H23NO2
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)C(=O)CN4CCOCC4
InChI
InChI=1S/C18H23NO2/c20-17(12-19-7-9-21-10-8-19)18-15-5-1-3-13(15)11-14-4-2-6-16(14)18/h11H,1-10,12H2
InChIKey
RCZPHHJZEJTTJF-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 168.5
[M+Na]+ 308.162098 172.5
[M-H]- 284.165604 174.8
[M+NH4]+ 303.206703 186.4
[M+K]+ 324.136038 169.3
[M+H-H2O]+ 268.170140 161.3
[M+HCOO]- 330.171081 182.7
[M+CH3COO]- 344.186731 178.5
[M+Na-2H]- 306.147546 167.3
[M]+ 285.17233142 164.2
[M]- 285.17342858 164.2
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.