CID 46737438

Fmoc-4-methyl-dl-tryptophan

Structural Information

Molecular Formula
C27H24N2O4
SMILES
CC1=C2C(=CC=C1)NC=C2CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H24N2O4/c1-16-7-6-12-23-25(16)17(14-28-23)13-24(26(30)31)29-27(32)33-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,14,22,24,28H,13,15H2,1H3,(H,29,32)(H,30,31)
InChIKey
KMNOFHSFGLLUIN-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methyl-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1736 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18088 206.6
[M+Na]+ 463.16282 218.3
[M+NH4]+ 458.20742 213.0
[M+K]+ 479.13676 215.1
[M-H]- 439.16632 209.9
[M+Na-2H]- 461.14827 210.3
[M]+ 440.17305 209.0
[M]- 440.17415 209.0
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.