CID 137949317

2138419-65-3

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1CO[C@@H](C[C@H]1NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO5/c23-20(24)19-11-13(9-10-26-19)22-21(25)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24)/t13-,19-/m0/s1
InChIKey
MOZVISJUHXQTEO-DJJJIMSYSA-N
Compound name
(2S,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 183.2
[M+Na]+ 390.13119 187.1
[M-H]- 366.13469 190.1
[M+NH4]+ 385.17579 196.3
[M+K]+ 406.10513 184.4
[M+H-H2O]+ 350.13923 175.6
[M+HCOO]- 412.14017 198.9
[M+CH3COO]- 426.15582 215.4
[M+Na-2H]- 388.11664 184.9
[M]+ 367.14142 182.3
[M]- 367.14252 182.3
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.