CID 7408494

2361610-55-9

Structural Information

Molecular Formula
C22H22N2O5
SMILES
C1C[C@@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)NCC(=O)O
InChI
InChI=1S/C22H22N2O5/c25-20(26)12-23-21(27)19-10-5-11-24(19)22(28)29-13-18-16-8-3-1-6-14(16)15-7-2-4-9-17(15)18/h1-4,6-9,18-19H,5,10-13H2,(H,23,27)(H,25,26)/t19-/m1/s1
InChIKey
YINDOSYVRZADBY-LJQANCHMSA-N
Compound name
2-[[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

394.15286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.160136 191.9
[M+Na]+ 417.142078 195.7
[M-H]- 393.145584 197.5
[M+NH4]+ 412.186683 205.6
[M+K]+ 433.116018 192.1
[M+H-H2O]+ 377.150120 184.5
[M+HCOO]- 439.151061 208.3
[M+CH3COO]- 453.166711 219.7
[M+Na-2H]- 415.127526 189.8
[M]+ 394.15231142 192.2
[M]- 394.15340858 192.2
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.