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

16
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 187.6
[M+Na]+ 404.14684 189.7
[M-H]- 380.15034 193.8
[M+NH4]+ 399.19144 199.6
[M+K]+ 420.12078 187.4
[M+H-H2O]+ 364.15488 179.7
[M+HCOO]- 426.15582 201.9
[M+CH3COO]- 440.17147 218.0
[M+Na-2H]- 402.13229 188.2
[M]+ 381.15707 185.9
[M]- 381.15817 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