CID 15449971

172525-85-8

Structural Information

Molecular Formula
C19H19NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCO)C(=O)O
InChI
InChI=1S/C19H19NO5/c21-10-9-17(18(22)23)20-19(24)25-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17,21H,9-11H2,(H,20,24)(H,22,23)/t17-/m0/s1
InChIKey
YFCXLWRCVZSPCF-KRWDZBQOSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
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 178.0
[M+Na]+ 364.11552 182.7
[M-H]- 340.11902 180.3
[M+NH4]+ 359.16012 193.1
[M+K]+ 380.08946 179.2
[M+H-H2O]+ 324.12356 171.4
[M+HCOO]- 386.12450 195.8
[M+CH3COO]- 400.14015 209.2
[M+Na-2H]- 362.10097 179.7
[M]+ 341.12575 179.8
[M]- 341.12685 179.8
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