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]+ 342.133576 178.2
[M+Na]+ 364.115518 183.6
[M-H]- 340.119024 180.8
[M+NH4]+ 359.160123 193.5
[M+K]+ 380.089458 180.2
[M+H-H2O]+ 324.123560 172.3
[M+HCOO]- 386.124501 195.4
[M+CH3COO]- 400.140151 208.6
[M+Na-2H]- 362.100966 182.3
[M]+ 341.12575142 180.2
[M]- 341.12684858 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