CID 7019067

Fmoc-glu(oall)-oh

Structural Information

Molecular Formula
C23H23NO6
SMILES
C=CCOC(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H23NO6/c1-2-13-29-21(25)12-11-20(22(26)27)24-23(28)30-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-20H,1,11-14H2,(H,24,28)(H,26,27)/t20-/m0/s1
InChIKey
LRBARFFNYOKIAX-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-prop-2-enoxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

409.15253 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15981 196.5
[M+Na]+ 432.14175 204.0
[M+NH4]+ 427.18635 200.6
[M+K]+ 448.11569 201.3
[M-H]- 408.14525 195.7
[M+Na-2H]- 430.12720 196.9
[M]+ 409.15198 196.7
[M]- 409.15308 196.7
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.