CID 46737293

178119-93-2

Structural Information

Molecular Formula
C23H19NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](C4=CC=C(C=C4)O)C(=O)O
InChI
InChI=1S/C23H19NO5/c25-15-11-9-14(10-12-15)21(22(26)27)24-23(28)29-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21,25H,13H2,(H,24,28)(H,26,27)/t21-/m1/s1
InChIKey
QBYSEGZHOGZXFO-OAQYLSRUSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

389.1263 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13358 191.3
[M+Na]+ 412.11552 202.5
[M+NH4]+ 407.16012 197.6
[M+K]+ 428.08946 198.5
[M-H]- 388.11902 194.4
[M+Na-2H]- 410.10097 195.9
[M]+ 389.12575 193.5
[M]- 389.12685 193.5
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