CID 49631

9-cyclohexylfluorene-9-carboxylic acid 2-(diethylamino)ethyl ester hydrochloride

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]+ 392.25841 200.4
[M+Na]+ 414.24035 203.0
[M-H]- 390.24385 208.0
[M+NH4]+ 409.28495 216.9
[M+K]+ 430.21429 198.1
[M+H-H2O]+ 374.24839 191.0
[M+HCOO]- 436.24933 217.3
[M+CH3COO]- 450.26498 227.3
[M+Na-2H]- 412.22580 200.0
[M]+ 391.25058 200.0
[M]- 391.25168 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.