CID 7020606

Fmoc-glu-oall

Structural Information

Molecular Formula
C23H23NO6
SMILES
C=CCOC(=O)[C@H](CCC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H23NO6/c1-2-13-29-22(27)20(11-12-21(25)26)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,25,26)/t20-/m0/s1
InChIKey
ORKKMGRINLTBPC-FQEVSTJZSA-N
Compound name
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-prop-2-enoxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
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

literature stripe

Patent stripe

patents stripe