CID 32947

25394-20-1

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CCCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H25NO2/c1-3-22(4-2)14-9-15-24-21(23)20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h5-8,10-13,20H,3-4,9,14-15H2,1-2H3
InChIKey
PGXGTIWMGFQSAZ-UHFFFAOYSA-N
Compound name
3-(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

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 180.9
[M+Na]+ 346.177758 186.6
[M-H]- 322.181264 186.9
[M+NH4]+ 341.222363 199.3
[M+K]+ 362.151698 182.8
[M+H-H2O]+ 306.185800 173.2
[M+HCOO]- 368.186741 202.8
[M+CH3COO]- 382.202391 216.2
[M+Na-2H]- 344.163206 183.2
[M]+ 323.18799142 185.8
[M]- 323.18908858 185.8
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.