CID 4712604

2-(3-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-2-oxopiperidin-1-yl)acetic acid

Structural Information

Molecular Formula
C22H22N2O5
SMILES
C1CC(C(=O)N(C1)CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H22N2O5/c25-20(26)12-24-11-5-10-19(21(24)27)23-22(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,23,28)(H,25,26)
InChIKey
WGBORFZFCVWACO-UHFFFAOYSA-N
Compound name
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 190.5
[M+Na]+ 417.14208 194.6
[M-H]- 393.14558 195.4
[M+NH4]+ 412.18668 202.4
[M+K]+ 433.11602 190.3
[M+H-H2O]+ 377.15012 181.8
[M+HCOO]- 439.15106 205.5
[M+CH3COO]- 453.16671 221.4
[M+Na-2H]- 415.12753 190.4
[M]+ 394.15231 189.4
[M]- 394.15341 189.4
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

patents stripe