CID 137928366

2253640-22-9

Structural Information

Molecular Formula
C23H21N3O5
SMILES
C1CN(CCN1C2=NC=C(O2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H21N3O5/c27-21(28)20-13-24-22(31-20)25-9-11-26(12-10-25)23(29)30-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13,19H,9-12,14H2,(H,27,28)
InChIKey
PDKXFFIPVIWXIW-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.14813 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15541 196.5
[M+Na]+ 442.13735 201.9
[M-H]- 418.14085 203.6
[M+NH4]+ 437.18195 205.1
[M+K]+ 458.11129 198.4
[M+H-H2O]+ 402.14539 186.8
[M+HCOO]- 464.14633 208.5
[M+CH3COO]- 478.16198 204.4
[M+Na-2H]- 440.12280 194.2
[M]+ 419.14758 197.0
[M]- 419.14868 197.0
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.