CID 132350945

2137851-47-7

Structural Information

Molecular Formula
C24H25NO4
SMILES
C1C2CC(CC1CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C24H25NO4/c26-23(27)17-10-15-9-16(11-17)13-25(12-15)24(28)29-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,15-17,22H,9-14H2,(H,26,27)
InChIKey
BXRVKYRNEQLRMJ-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonyl)-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.185616 191.9
[M+Na]+ 414.167558 195.2
[M-H]- 390.171064 195.4
[M+NH4]+ 409.212163 205.5
[M+K]+ 430.141498 189.8
[M+H-H2O]+ 374.175600 183.1
[M+HCOO]- 436.176541 201.1
[M+CH3COO]- 450.192191 199.0
[M+Na-2H]- 412.153006 191.3
[M]+ 391.17779142 188.9
[M]- 391.17888858 188.9
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.