CID 45425

2-(diethylamino)propyl 9-fluorenecarboxylate hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)C(C)COC(=O)C1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H25NO2/c1-4-22(5-2)15(3)14-24-21(23)20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20H,4-5,14H2,1-3H3
InChIKey
OFONEENMYSCKBF-UHFFFAOYSA-N
Compound name
2-(diethylamino)propyl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 181.3
[M+Na]+ 346.17776 186.7
[M-H]- 322.18126 187.4
[M+NH4]+ 341.22236 199.6
[M+K]+ 362.15170 183.4
[M+H-H2O]+ 306.18580 173.8
[M+HCOO]- 368.18674 202.2
[M+CH3COO]- 382.20239 217.0
[M+Na-2H]- 344.16321 182.4
[M]+ 323.18799 185.6
[M]- 323.18909 185.6
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.