CID 40428349

Fmoc-n-me-glu(otbu)-oh

Structural Information

Molecular Formula
C25H29NO6
SMILES
CC(C)(C)OC(=O)CC[C@@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C25H29NO6/c1-25(2,3)32-22(27)14-13-21(23(28)29)26(4)24(30)31-15-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20-21H,13-15H2,1-4H3,(H,28,29)/t21-/m0/s1
InChIKey
FVUASVBQADLDRO-NRFANRHFSA-N
Compound name
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

439.1995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.20678 202.6
[M+Na]+ 462.18872 209.5
[M+NH4]+ 457.23332 206.7
[M+K]+ 478.16266 208.5
[M-H]- 438.19222 201.7
[M+Na-2H]- 460.17417 203.2
[M]+ 439.19895 202.9
[M]- 439.20005 202.9
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