CID 10885274

Fmoc-3,4,5-trimethoxyl-l-phenylalanine

Structural Information

Molecular Formula
C27H27NO7
SMILES
COC1=CC(=CC(=C1OC)OC)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H27NO7/c1-32-23-13-16(14-24(33-2)25(23)34-3)12-22(26(29)30)28-27(31)35-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,13-14,21-22H,12,15H2,1-3H3,(H,28,31)(H,29,30)/t22-/m0/s1
InChIKey
ZMYXJFNOVGJURH-QFIPXVFZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3,4,5-trimethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.17874 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.18602 214.0
[M+Na]+ 500.16796 224.6
[M+NH4]+ 495.21256 218.8
[M+K]+ 516.14190 220.9
[M-H]- 476.17146 216.6
[M+Na-2H]- 498.15341 217.0
[M]+ 477.17819 216.0
[M]- 477.17929 216.0
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

No patent data available for this compound.