CID 132349255

2138266-64-3

Structural Information

Molecular Formula
C20H19NO5
SMILES
C1CO[C@H]([C@H]1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H19NO5/c22-19(23)18-17(9-10-25-18)21-20(24)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-18H,9-11H2,(H,21,24)(H,22,23)/t17-,18+/m0/s1
InChIKey
NUCSYZBFEPVWSU-ZWKOTPCHSA-N
Compound name
(2R,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1263 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 180.0
[M+Na]+ 376.11552 185.1
[M-H]- 352.11902 187.8
[M+NH4]+ 371.16012 195.7
[M+K]+ 392.08946 182.7
[M+H-H2O]+ 336.12356 174.0
[M+HCOO]- 398.12450 198.4
[M+CH3COO]- 412.14015 211.9
[M+Na-2H]- 374.10097 180.5
[M]+ 353.12575 181.2
[M]- 353.12685 181.2
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.