CID 75534991

1932033-81-2

Structural Information

Molecular Formula
C24H28N2O6
SMILES
C[C@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OC(C)(C)C
InChI
InChI=1S/C24H28N2O6/c1-14(25-23(30)32-24(2,3)4)20(21(27)28)26-22(29)31-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,25,30)(H,26,29)(H,27,28)/t14-,20-/m1/s1
InChIKey
IETIWIXNTKKVMT-JLTOFOAXSA-N
Compound name
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.19473 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.20201 205.0
[M+Na]+ 463.18395 206.6
[M-H]- 439.18745 208.0
[M+NH4]+ 458.22855 216.1
[M+K]+ 479.15789 205.7
[M+H-H2O]+ 423.19199 198.2
[M+HCOO]- 485.19293 220.2
[M+CH3COO]- 499.20858 233.3
[M+Na-2H]- 461.16940 204.7
[M]+ 440.19418 208.4
[M]- 440.19528 208.4
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.