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

330
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 197.3
[M+Na]+ 432.14175 200.6
[M-H]- 408.14525 200.3
[M+NH4]+ 427.18635 209.9
[M+K]+ 448.11569 197.3
[M+H-H2O]+ 392.14979 189.9
[M+HCOO]- 454.15073 214.7
[M+CH3COO]- 468.16638 224.2
[M+Na-2H]- 430.12720 196.4
[M]+ 409.15198 201.5
[M]- 409.15308 201.5
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