CID 2756101

Fmoc-dab(boc)-oh

Structural Information

Molecular Formula
C24H28N2O6
SMILES
CC(C)(C)OC(=O)NCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)25-13-12-20(21(27)28)26-23(30)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m0/s1
InChIKey
LIWKOFAHRLBNMG-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

752
Patents

440.19473 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.20201 203.5
[M+Na]+ 463.18395 209.2
[M+NH4]+ 458.22855 207.0
[M+K]+ 479.15789 208.1
[M-H]- 439.18745 202.6
[M+Na-2H]- 461.16940 203.7
[M]+ 440.19418 203.4
[M]- 440.19528 203.4
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