CID 10917854

147762-53-6

Structural Information

Molecular Formula
C24H22NO8P
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)OP(=O)(O)O)C(=O)O
InChI
InChI=1S/C24H22NO8P/c26-23(27)22(13-15-9-11-16(12-10-15)33-34(29,30)31)25-24(28)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,25,28)(H,26,27)(H2,29,30,31)/t22-/m0/s1
InChIKey
AMXUJIHSMANWDW-QFIPXVFZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phosphonooxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

87
Patents

483.1083 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.11558 209.1
[M+Na]+ 506.09752 216.7
[M+NH4]+ 501.14212 212.1
[M+K]+ 522.07146 216.0
[M-H]- 482.10102 209.0
[M+Na-2H]- 504.08297 210.9
[M]+ 483.10775 209.5
[M]- 483.10885 209.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe