CID 46737293

(2r)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-2-(4-hydroxyphenyl)acetic acid

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 189.4
[M+Na]+ 412.11552 194.2
[M-H]- 388.11902 195.2
[M+NH4]+ 407.16012 202.1
[M+K]+ 428.08946 189.9
[M+H-H2O]+ 372.12356 181.6
[M+HCOO]- 434.12450 207.0
[M+CH3COO]- 448.14015 218.6
[M+Na-2H]- 410.10097 190.8
[M]+ 389.12575 190.4
[M]- 389.12685 190.4
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