CID 155820081

2567489-02-3

Structural Information

Molecular Formula
C24H27NO6
SMILES
C[C@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC(C)(C)C
InChI
InChI=1S/C24H27NO6/c1-14(22(28)31-24(2,3)4)20(21(26)27)25-23(29)30-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,25,29)(H,26,27)/t14-,20-/m1/s1
InChIKey
GFPZVFFQFHJUMK-JLTOFOAXSA-N
Compound name
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.18384 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.19112 202.4
[M+Na]+ 448.17306 205.0
[M-H]- 424.17656 205.5
[M+NH4]+ 443.21766 214.5
[M+K]+ 464.14700 203.6
[M+H-H2O]+ 408.18110 196.0
[M+HCOO]- 470.18204 216.6
[M+CH3COO]- 484.19769 228.5
[M+Na-2H]- 446.15851 201.3
[M]+ 425.18329 206.6
[M]- 425.18439 206.6
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.