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

6
Patents

396.16852 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17580 191.1
[M+Na]+ 419.15774 193.1
[M-H]- 395.16124 196.0
[M+NH4]+ 414.20234 201.1
[M+K]+ 435.13168 190.7
[M+H-H2O]+ 379.16578 182.2
[M+HCOO]- 441.16672 204.1
[M+CH3COO]- 455.18237 220.6
[M+Na-2H]- 417.14319 191.8
[M]+ 396.16797 190.0
[M]- 396.16907 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