CID 63310500

1339932-23-8

Structural Information

Molecular Formula
C23H25NO4
SMILES
CCC1(CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H25NO4/c1-2-23(21(25)26)11-13-24(14-12-23)22(27)28-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20H,2,11-15H2,1H3,(H,25,26)
InChIKey
STSYGDQTYHCAHB-UHFFFAOYSA-N
Compound name
4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 192.2
[M+Na]+ 402.16756 203.3
[M+NH4]+ 397.21216 200.6
[M+K]+ 418.14150 196.3
[M-H]- 378.17106 194.7
[M+Na-2H]- 400.15301 196.9
[M]+ 379.17779 194.4
[M]- 379.17889 194.4
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.