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]+ 395.16014 192.5
[M+Na]+ 417.14208 197.2
[M-H]- 393.14558 196.2
[M+NH4]+ 412.18668 203.2
[M+K]+ 433.11602 193.1
[M+H-H2O]+ 377.15012 183.4
[M+HCOO]- 439.15106 204.1
[M+CH3COO]- 453.16671 219.7
[M+Na-2H]- 415.12753 190.4
[M]+ 394.15231 192.0
[M]- 394.15341 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.