CID 2734447

220497-47-2

Structural Information

Molecular Formula
C24H20BrNO4
SMILES
C1=CC=C(C(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Br
InChI
InChI=1S/C24H20BrNO4/c25-21-12-6-1-7-15(21)13-22(23(27)28)26-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
GRJPAUULVKPBHU-QFIPXVFZSA-N
Compound name
(2S)-3-(2-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

465.05756 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.06484 201.4
[M+Na]+ 488.04678 203.7
[M+NH4]+ 483.09138 204.7
[M+K]+ 504.02072 204.2
[M-H]- 464.05028 203.4
[M+Na-2H]- 486.03223 202.9
[M]+ 465.05701 200.9
[M]- 465.05811 200.9
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