CID 132398986

2171799-28-1

Structural Information

Molecular Formula
C25H20N2O6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC5=C(C=C4)OC(=O)N5)C(=O)O
InChI
InChI=1S/C25H20N2O6/c28-23(29)21(12-14-9-10-22-20(11-14)26-25(31)33-22)27-24(30)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21H,12-13H2,(H,26,31)(H,27,30)(H,28,29)
InChIKey
RDGLKIGUOPXQAY-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.13214 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.13942 203.0
[M+Na]+ 467.12136 214.6
[M+NH4]+ 462.16596 208.3
[M+K]+ 483.09530 213.2
[M-H]- 443.12486 206.6
[M+Na-2H]- 465.10681 205.7
[M]+ 444.13159 205.4
[M]- 444.13269 205.4
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.