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 189.5
[M+Na]+ 404.14684 192.4
[M-H]- 380.15034 196.5
[M+NH4]+ 399.19144 203.5
[M+K]+ 420.12078 190.1
[M+H-H2O]+ 364.15488 183.0
[M+HCOO]- 426.15582 206.1
[M+CH3COO]- 440.17147 217.3
[M+Na-2H]- 402.13229 188.4
[M]+ 381.15707 190.2
[M]- 381.15817 190.2
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.