CID 132350951

2137493-73-1

Structural Information

Molecular Formula
C22H22N2O5
SMILES
CC(C(=O)O)N1CCN(CC1=O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H22N2O5/c1-14(21(26)27)24-11-10-23(12-20(24)25)22(28)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19H,10-13H2,1H3,(H,26,27)
InChIKey
JYIMJNFMOJYXKD-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)-2-oxopiperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.15286 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.160136 192.5
[M+Na]+ 417.142078 197.2
[M-H]- 393.145584 196.2
[M+NH4]+ 412.186683 203.2
[M+K]+ 433.116018 193.1
[M+H-H2O]+ 377.150120 183.4
[M+HCOO]- 439.151061 204.1
[M+CH3COO]- 453.166711 219.7
[M+Na-2H]- 415.127526 190.4
[M]+ 394.15231142 192.0
[M]- 394.15340858 192.0
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.