CID 155149072

Dtxsid401335680

Structural Information

Molecular Formula
C29H39NO2
SMILES
CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)C(C)(C)N4CCOCC4)CCCC
InChI
InChI=1S/C29H39NO2/c1-5-7-15-29(16-8-6-2)25-12-10-9-11-23(25)24-14-13-22(21-26(24)29)27(31)28(3,4)30-17-19-32-20-18-30/h9-14,21H,5-8,15-20H2,1-4H3
InChIKey
IZQAFXSBDKWMSD-UHFFFAOYSA-N
Compound name
1-(9,9-dibutylfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

433.29807 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.30535 214.8
[M+Na]+ 456.28729 218.3
[M-H]- 432.29079 220.4
[M+NH4]+ 451.33189 227.1
[M+K]+ 472.26123 213.0
[M+H-H2O]+ 416.29533 205.3
[M+HCOO]- 478.29627 225.3
[M+CH3COO]- 492.31192 232.9
[M+Na-2H]- 454.27274 213.9
[M]+ 433.29752 216.1
[M]- 433.29862 216.1
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

patents stripe