CID 165891977

En300-27726454

Structural Information

Molecular Formula
C26H27NO4
SMILES
C1CN(CCC1C23CC(C2)(C3)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C26H27NO4/c28-23(29)26-14-25(15-26,16-26)17-9-11-27(12-10-17)24(30)31-13-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,17,22H,9-16H2,(H,28,29)
InChIKey
MHJQKZYRYUWQFV-UHFFFAOYSA-N
Compound name
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.194 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.20128 206.9
[M+Na]+ 440.18322 207.1
[M-H]- 416.18672 212.0
[M+NH4]+ 435.22782 205.7
[M+K]+ 456.15716 210.5
[M+H-H2O]+ 400.19126 188.9
[M+HCOO]- 462.19220 211.1
[M+CH3COO]- 476.20785 210.2
[M+Na-2H]- 438.16867 205.7
[M]+ 417.19345 228.6
[M]- 417.19455 228.6
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.