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

8
Patents

394.15286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.160136 190.5
[M+Na]+ 417.142078 194.6
[M-H]- 393.145584 195.4
[M+NH4]+ 412.186683 202.4
[M+K]+ 433.116018 190.3
[M+H-H2O]+ 377.150120 181.8
[M+HCOO]- 439.151061 205.5
[M+CH3COO]- 453.166711 221.4
[M+Na-2H]- 415.127526 190.4
[M]+ 394.15231142 189.4
[M]- 394.15340858 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