CID 24729652

553643-51-9

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1COCCC1C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO5/c24-21(25)20(14-9-11-27-12-10-14)23-22(26)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19-20H,9-13H2,(H,23,26)(H,24,25)
InChIKey
WNRMJMFKNFPDFJ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

381.15762 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.164896 187.6
[M+Na]+ 404.146838 189.7
[M-H]- 380.150344 193.8
[M+NH4]+ 399.191443 199.6
[M+K]+ 420.120778 187.4
[M+H-H2O]+ 364.154880 179.7
[M+HCOO]- 426.155821 201.9
[M+CH3COO]- 440.171471 218.0
[M+Na-2H]- 402.132286 188.2
[M]+ 381.15707142 185.9
[M]- 381.15816858 185.9
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