CID 132350895

2137550-53-7

Structural Information

Molecular Formula
C21H21NO5
SMILES
C1CO[C@@H]([C@@H]1C(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO5/c23-20(24)17-9-10-26-19(17)11-22-21(25)27-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,17-19H,9-12H2,(H,22,25)(H,23,24)/t17-,19-/m1/s1
InChIKey
CLJYFLPWFCPFNJ-IEBWSBKVSA-N
Compound name
(2S,3R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.14197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 184.6
[M+Na]+ 390.13119 189.3
[M-H]- 366.13469 192.2
[M+NH4]+ 385.17579 199.7
[M+K]+ 406.10513 186.6
[M+H-H2O]+ 350.13923 178.4
[M+HCOO]- 412.14017 202.6
[M+CH3COO]- 426.15582 214.8
[M+Na-2H]- 388.11664 184.6
[M]+ 367.14142 186.1
[M]- 367.14252 186.1
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.