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

0
Patents

394.15286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16014 191.9
[M+Na]+ 417.14208 195.7
[M-H]- 393.14558 197.5
[M+NH4]+ 412.18668 205.6
[M+K]+ 433.11602 192.1
[M+H-H2O]+ 377.15012 184.5
[M+HCOO]- 439.15106 208.3
[M+CH3COO]- 453.16671 219.7
[M+Na-2H]- 415.12753 189.8
[M]+ 394.15231 192.2
[M]- 394.15341 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.