CID 45423

2-(di-n-butylamino)propyl 9-fluorenecarboxylate hydrochloride

Structural Information

Molecular Formula
C25H33NO2
SMILES
CCCCN(CCCC)CCCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H33NO2/c1-3-5-16-26(17-6-4-2)18-11-19-28-25(27)24-22-14-9-7-12-20(22)21-13-8-10-15-23(21)24/h7-10,12-15,24H,3-6,11,16-19H2,1-2H3
InChIKey
MHGGWVJWROZEPS-UHFFFAOYSA-N
Compound name
3-(dibutylamino)propyl 9H-fluorene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.25113 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25841 199.9
[M+Na]+ 402.24035 203.6
[M-H]- 378.24385 204.9
[M+NH4]+ 397.28495 215.8
[M+K]+ 418.21429 198.9
[M+H-H2O]+ 362.24839 191.2
[M+HCOO]- 424.24933 220.2
[M+CH3COO]- 438.26498 227.9
[M+Na-2H]- 400.22580 199.8
[M]+ 379.25058 206.0
[M]- 379.25168 206.0
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.