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 198.7
[M+Na]+ 448.17306 205.3
[M+NH4]+ 443.21766 202.6
[M+K]+ 464.14700 204.7
[M-H]- 424.17656 197.3
[M+Na-2H]- 446.15851 198.9
[M]+ 425.18329 198.7
[M]- 425.18439 198.7
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.