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]+ 392.18562 191.9
[M+Na]+ 414.16756 195.2
[M-H]- 390.17106 195.4
[M+NH4]+ 409.21216 205.5
[M+K]+ 430.14150 189.8
[M+H-H2O]+ 374.17560 183.1
[M+HCOO]- 436.17654 201.1
[M+CH3COO]- 450.19219 199.0
[M+Na-2H]- 412.15301 191.3
[M]+ 391.17779 188.9
[M]- 391.17889 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.