CID 1512559

1217646-18-8

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1C[C@H](CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChI
InChI=1S/C22H23NO4/c24-21(25)12-15-6-5-11-23(13-15)22(26)27-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20H,5-6,11-14H2,(H,24,25)/t15-/m0/s1
InChIKey
JFQZUENRKJILBT-HNNXBMFYSA-N
Compound name
2-[(3S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

365.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 187.1
[M+Na]+ 388.151938 191.3
[M-H]- 364.155444 191.7
[M+NH4]+ 383.196543 200.5
[M+K]+ 404.125878 186.4
[M+H-H2O]+ 348.159980 178.4
[M+HCOO]- 410.160921 200.8
[M+CH3COO]- 424.176571 213.2
[M+Na-2H]- 386.137386 186.4
[M]+ 365.16217142 185.4
[M]- 365.16326858 185.4
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

patents stripe