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
2
Annotation Hits

1
References

3180
Patents

425.18384 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.191116 203.0
[M+Na]+ 448.173058 205.9
[M-H]- 424.176564 206.0
[M+NH4]+ 443.217663 215.2
[M+K]+ 464.146998 203.9
[M+H-H2O]+ 408.181100 196.3
[M+HCOO]- 470.182041 218.2
[M+CH3COO]- 484.197691 227.6
[M+Na-2H]- 446.158506 202.9
[M]+ 425.18329142 207.7
[M]- 425.18438858 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