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]+ 426.191116 202.4
[M+Na]+ 448.173058 205.0
[M-H]- 424.176564 205.5
[M+NH4]+ 443.217663 214.5
[M+K]+ 464.146998 203.6
[M+H-H2O]+ 408.181100 196.0
[M+HCOO]- 470.182041 216.6
[M+CH3COO]- 484.197691 228.5
[M+Na-2H]- 446.158506 201.3
[M]+ 425.18329142 206.6
[M]- 425.18438858 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.