CID 7009742

269398-78-9

Structural Information

Molecular Formula
C25H22N2O6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)O
InChI
InChI=1S/C25H22N2O6/c28-24(29)14-17(13-16-9-11-18(12-10-16)27(31)32)26-25(30)33-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,17,23H,13-15H2,(H,26,30)(H,28,29)/t17-/m1/s1
InChIKey
HBORLQMDGYDDBJ-QGZVFWFLSA-N
Compound name
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitrophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

446.1478 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.15508 203.1
[M+Na]+ 469.13702 214.0
[M+NH4]+ 464.18162 208.6
[M+K]+ 485.11096 212.4
[M-H]- 445.14052 207.4
[M+Na-2H]- 467.12247 207.1
[M]+ 446.14725 205.4
[M]- 446.14835 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

patents stripe