CID 3085670

Einecs 276-253-8

Structural Information

Molecular Formula
C24H27NO6
SMILES
CC(C)(C)OC(=O)C(CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H27NO6/c1-24(2,3)31-22(28)20(12-13-21(26)27)25-23(29)30-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,27)
InChIKey
GOPWHXPXSPIIQZ-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3595
Patents

425.18384 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.19112 203.0
[M+Na]+ 448.17306 205.9
[M-H]- 424.17656 206.0
[M+NH4]+ 443.21766 215.2
[M+K]+ 464.14700 203.9
[M+H-H2O]+ 408.18110 196.3
[M+HCOO]- 470.18204 218.2
[M+CH3COO]- 484.19769 227.6
[M+Na-2H]- 446.15851 202.9
[M]+ 425.18329 207.7
[M]- 425.18439 207.7
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

patents stripe