CID 132350980

2137862-31-6

Structural Information

Molecular Formula
C24H22N2O5
SMILES
C1CN(CCC1C2=NC=C(O2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H22N2O5/c27-23(28)21-13-25-22(31-21)15-9-11-26(12-10-15)24(29)30-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,13,15,20H,9-12,14H2,(H,27,28)
InChIKey
BHTGDVSOHHENCE-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-1,3-oxazole-5-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 198.3
[M+Na]+ 441.14208 210.0
[M+NH4]+ 436.18668 204.5
[M+K]+ 457.11602 208.2
[M-H]- 417.14558 203.1
[M+Na-2H]- 439.12753 201.9
[M]+ 418.15231 201.1
[M]- 418.15341 201.1
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.