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 192.8
[M+Na]+ 402.16756 197.7
[M-H]- 378.17106 197.6
[M+NH4]+ 397.21216 207.7
[M+K]+ 418.14150 192.8
[M+H-H2O]+ 362.17560 184.2
[M+HCOO]- 424.17654 206.1
[M+CH3COO]- 438.19219 215.6
[M+Na-2H]- 400.15301 192.6
[M]+ 379.17779 191.8
[M]- 379.17889 191.8
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.