CID 121604611

1696922-73-2

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1COCC1CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO5/c24-21(25)20(11-14-9-10-27-12-14)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
WMXXWGFTNHLUAL-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(oxolan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 189.9
[M+Na]+ 404.14684 197.9
[M+NH4]+ 399.19144 196.2
[M+K]+ 420.12078 197.0
[M-H]- 380.15034 193.4
[M+Na-2H]- 402.13229 191.5
[M]+ 381.15707 191.6
[M]- 381.15817 191.6
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.