CID 7006540

Fmoc-l-styrylalanine

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1=CC=C(C=C1)/C=C/C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H23NO4/c28-25(29)24(16-8-11-18-9-2-1-3-10-18)27-26(30)31-17-23-21-14-6-4-12-19(21)20-13-5-7-15-22(20)23/h1-15,23-24H,16-17H2,(H,27,30)(H,28,29)/b11-8+/t24-/m0/s1
InChIKey
ZFMHHKMOLFNMMV-DDVUFSRBSA-N
Compound name
(E,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

413.16272 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 200.3
[M+Na]+ 436.15194 203.8
[M-H]- 412.15544 206.4
[M+NH4]+ 431.19654 212.4
[M+K]+ 452.12588 198.1
[M+H-H2O]+ 396.15998 191.6
[M+HCOO]- 458.16092 218.4
[M+CH3COO]- 472.17657 224.6
[M+Na-2H]- 434.13739 200.7
[M]+ 413.16217 201.2
[M]- 413.16327 201.2
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