CID 2761467

Fmoc-l-homophenylalanine

Structural Information

Molecular Formula
C25H23NO4
SMILES
C1=CC=C(C=C1)CC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO4/c27-24(28)23(15-14-17-8-2-1-3-9-17)26-25(29)30-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKey
CIHPCIUGLIZADU-QHCPKHFHSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

215
Patents

401.16272 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 197.3
[M+Na]+ 424.15194 208.8
[M+NH4]+ 419.19654 204.2
[M+K]+ 440.12588 203.2
[M-H]- 400.15544 201.2
[M+Na-2H]- 422.13739 202.6
[M]+ 401.16217 199.8
[M]- 401.16327 199.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe