CID 137704367

1822422-75-2

Structural Information

Molecular Formula
C22H24N2O5
SMILES
C1COCCN1CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H24N2O5/c25-21(26)20(13-24-9-11-28-12-10-24)23-22(27)29-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19-20H,9-14H2,(H,23,27)(H,25,26)
InChIKey
FORMPPIZRSYWEP-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-morpholin-4-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

396.16852 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.175796 191.1
[M+Na]+ 419.157738 193.1
[M-H]- 395.161244 196.0
[M+NH4]+ 414.202343 201.1
[M+K]+ 435.131678 190.7
[M+H-H2O]+ 379.165780 182.2
[M+HCOO]- 441.166721 204.1
[M+CH3COO]- 455.182371 220.6
[M+Na-2H]- 417.143186 191.8
[M]+ 396.16797142 190.0
[M]- 396.16906858 190.0
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