CID 49631

67227-21-8

Structural Information

Molecular Formula
C26H33NO2
SMILES
CCN(CC)CCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)C4CCCCC4
InChI
InChI=1S/C26H33NO2/c1-3-27(4-2)18-19-29-25(28)26(20-12-6-5-7-13-20)23-16-10-8-14-21(23)22-15-9-11-17-24(22)26/h8-11,14-17,20H,3-7,12-13,18-19H2,1-2H3
InChIKey
JIBMSZBACXMEEY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 9-cyclohexylfluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.25113 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.258406 200.4
[M+Na]+ 414.240348 203.0
[M-H]- 390.243854 208.0
[M+NH4]+ 409.284953 216.9
[M+K]+ 430.214288 198.1
[M+H-H2O]+ 374.248390 191.0
[M+HCOO]- 436.249331 217.3
[M+CH3COO]- 450.264981 227.3
[M+Na-2H]- 412.225796 200.0
[M]+ 391.25058142 200.0
[M]- 391.25167858 200.0
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.