CID 132350979

2138361-00-7

Structural Information

Molecular Formula
C24H22N2O5
SMILES
C1CN(CCC1C2=C(N=CO2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H22N2O5/c27-23(28)21-22(31-14-25-21)15-9-11-26(12-10-15)24(29)30-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,27,28)
InChIKey
JDFXGQDRKFWGJU-UHFFFAOYSA-N
Compound name
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.15286 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16014 197.3
[M+Na]+ 441.14208 202.3
[M-H]- 417.14558 205.5
[M+NH4]+ 436.18668 207.3
[M+K]+ 457.11602 198.8
[M+H-H2O]+ 401.15012 188.4
[M+HCOO]- 463.15106 210.3
[M+CH3COO]- 477.16671 205.5
[M+Na-2H]- 439.12753 194.6
[M]+ 418.15231 197.6
[M]- 418.15341 197.6
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.