CID 18616098

En300-657791

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]+ 395.16014 191.8
[M+Na]+ 417.14208 196.7
[M-H]- 393.14558 197.6
[M+NH4]+ 412.18668 205.7
[M+K]+ 433.11602 192.4
[M+H-H2O]+ 377.15012 184.3
[M+HCOO]- 439.15106 209.1
[M+CH3COO]- 453.16671 220.7
[M+Na-2H]- 415.12753 190.0
[M]+ 394.15231 193.1
[M]- 394.15341 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.