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

9
Patents

365.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17000 187.4
[M+Na]+ 388.15194 198.6
[M+NH4]+ 383.19654 194.5
[M+K]+ 404.12588 193.6
[M-H]- 364.15544 190.0
[M+Na-2H]- 386.13739 190.9
[M]+ 365.16217 189.5
[M]- 365.16327 189.5
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