CID 6992528

(2s,3s)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C19H19NO5
SMILES
C[C@@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C19H19NO5/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23)/t11-,17-/m0/s1
InChIKey
OYULCCKKLJPNPU-GTNSWQLSSA-N
Compound name
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

765
Patents

341.1263 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 178.4
[M+Na]+ 364.11552 182.7
[M-H]- 340.11902 180.7
[M+NH4]+ 359.16012 193.3
[M+K]+ 380.08946 179.9
[M+H-H2O]+ 324.12356 172.0
[M+HCOO]- 386.12450 195.1
[M+CH3COO]- 400.14015 210.2
[M+Na-2H]- 362.10097 178.9
[M]+ 341.12575 179.6
[M]- 341.12685 179.6
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