CID 18616098

3-[3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-2-oxopyrrolidin-1-yl]propanoic acid

Structural Information

Molecular Formula
C22H22N2O5
SMILES
C1CN(C(=O)C1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CCC(=O)O
InChI
InChI=1S/C22H22N2O5/c25-20(26)10-12-24-11-9-19(21(24)27)23-22(28)29-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18-19H,9-13H2,(H,23,28)(H,25,26)
InChIKey
RZAMLEUIUBCONB-UHFFFAOYSA-N
Compound name
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.15286 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.160136 191.8
[M+Na]+ 417.142078 196.7
[M-H]- 393.145584 197.6
[M+NH4]+ 412.186683 205.7
[M+K]+ 433.116018 192.4
[M+H-H2O]+ 377.150120 184.3
[M+HCOO]- 439.151061 209.1
[M+CH3COO]- 453.166711 220.7
[M+Na-2H]- 415.127526 190.0
[M]+ 394.15231142 193.1
[M]- 394.15340858 193.1
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.