CID 102188223

898529-38-9

Structural Information

Molecular Formula
C19H19NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC[C@@H](C(=O)O)O
InChI
InChI=1S/C19H19NO5/c21-17(18(22)23)9-10-20-19(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
BVYPRFGDGMVRDG-KRWDZBQOSA-N
Compound name
(2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 178.8
[M+Na]+ 364.11552 187.5
[M+NH4]+ 359.16012 184.6
[M+K]+ 380.08946 184.8
[M-H]- 340.11902 179.0
[M+Na-2H]- 362.10097 180.6
[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

No literature data available for this compound.

Patent stripe

patents stripe