CID 39350

42882-73-5

Structural Information

Molecular Formula
C20H32N2O2
SMILES
C1CCC2=C(CC1)C=C(C=C2)C(CNCCCN3CCOCC3)O
InChI
InChI=1S/C20H32N2O2/c23-20(16-21-9-4-10-22-11-13-24-14-12-22)19-8-7-17-5-2-1-3-6-18(17)15-19/h7-8,15,20-21,23H,1-6,9-14,16H2
InChIKey
SCSBIGOOFMEOJV-UHFFFAOYSA-N
Compound name
2-(3-morpholin-4-ylpropylamino)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.24637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.25365 185.7
[M+Na]+ 355.23559 193.0
[M+NH4]+ 350.28019 192.2
[M+K]+ 371.20953 187.4
[M-H]- 331.23909 190.0
[M+Na-2H]- 353.22104 188.8
[M]+ 332.24582 187.8
[M]- 332.24692 187.8
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.