CID 86280368

207117-28-0

Structural Information

Molecular Formula
C19H19NO5
SMILES
C[C@](CO)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO5/c1-19(11-21,17(22)23)20-18(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16,21H,10-11H2,1H3,(H,20,24)(H,22,23)/t19-/m0/s1
InChIKey
QJTSLFSLVWJFCO-IBGZPJMESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

341.1263 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 178.2
[M+Na]+ 364.11552 183.6
[M-H]- 340.11902 180.8
[M+NH4]+ 359.16012 193.5
[M+K]+ 380.08946 180.2
[M+H-H2O]+ 324.12356 172.3
[M+HCOO]- 386.12450 195.4
[M+CH3COO]- 400.14015 208.6
[M+Na-2H]- 362.10097 182.3
[M]+ 341.12575 180.2
[M]- 341.12685 180.2
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

patents stripe