CID 89668276

N-fmoc-n-ethyl-l-phenylalanine

Structural Information

Molecular Formula
C26H25NO4
SMILES
CCN([C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO4/c1-2-27(24(25(28)29)16-18-10-4-3-5-11-18)26(30)31-17-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,23-24H,2,16-17H2,1H3,(H,28,29)/t24-/m0/s1
InChIKey
DZDBYCUIFHWWLH-DEOSSOPVSA-N
Compound name
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

415.17834 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18562 200.5
[M+Na]+ 438.16756 211.9
[M+NH4]+ 433.21216 207.5
[M+K]+ 454.14150 206.7
[M-H]- 414.17106 204.7
[M+Na-2H]- 436.15301 205.9
[M]+ 415.17779 203.1
[M]- 415.17889 203.1
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