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]+ 366.17000 188.7
[M+Na]+ 388.15194 193.8
[M-H]- 364.15544 194.2
[M+NH4]+ 383.19654 204.2
[M+K]+ 404.12588 189.1
[M+H-H2O]+ 348.15998 181.3
[M+HCOO]- 410.16092 204.8
[M+CH3COO]- 424.17657 212.7
[M+Na-2H]- 386.13739 186.3
[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