CID 17040211

1013997-51-7

Structural Information

Molecular Formula
C22H23NO4
SMILES
C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CCC(=O)O
InChI
InChI=1S/C22H23NO4/c24-21(25)12-11-15-6-5-13-23(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
IFUWGSCZSKIAIA-HNNXBMFYSA-N
Compound name
3-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

365.16272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.169996 188.7
[M+Na]+ 388.151938 193.8
[M-H]- 364.155444 194.2
[M+NH4]+ 383.196543 204.2
[M+K]+ 404.125878 189.1
[M+H-H2O]+ 348.159980 181.3
[M+HCOO]- 410.160921 204.8
[M+CH3COO]- 424.176571 212.7
[M+Na-2H]- 386.137386 186.3
[M]+ 365.16217142 189.5
[M]- 365.16326858 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