CID 2734447

Fmoc-l-2-bromophenylalanine

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

154
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 207.0
[M+Na]+ 488.04678 213.9
[M-H]- 464.05028 215.6
[M+NH4]+ 483.09138 221.0
[M+K]+ 504.02072 202.2
[M+H-H2O]+ 448.05482 204.8
[M+HCOO]- 510.05576 222.9
[M+CH3COO]- 524.07141 228.4
[M+Na-2H]- 486.03223 207.9
[M]+ 465.05701 226.5
[M]- 465.05811 226.5
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