CID 17040199

946716-25-2

Structural Information

Molecular Formula
C22H23NO5
SMILES
C1COCCC1(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO5/c24-20(25)13-22(9-11-27-12-10-22)23-21(26)28-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,23,26)(H,24,25)
InChIKey
NNMNKVJISWGUDI-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 190.3
[M+Na]+ 404.14684 200.0
[M+NH4]+ 399.19144 198.4
[M+K]+ 420.12078 194.1
[M-H]- 380.15034 194.6
[M+Na-2H]- 402.13229 194.6
[M]+ 381.15707 192.7
[M]- 381.15817 192.7
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