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 179.8
[M+Na]+ 355.23559 178.4
[M-H]- 331.23909 183.6
[M+NH4]+ 350.28019 189.2
[M+K]+ 371.20953 179.3
[M+H-H2O]+ 315.24363 171.0
[M+HCOO]- 377.24457 191.2
[M+CH3COO]- 391.26022 186.2
[M+Na-2H]- 353.22104 181.4
[M]+ 332.24582 171.0
[M]- 332.24692 171.0
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.