CID 16211975

211682-15-4

Structural Information

Molecular Formula
C19H19NO4
SMILES
C[C@H](CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C19H19NO4/c1-12(18(21)22)10-20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKey
BMUDOYSTGJHGNI-GFCCVEGCSA-N
Compound name
(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

325.1314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 175.7
[M+Na]+ 348.12062 185.5
[M+NH4]+ 343.16522 182.5
[M+K]+ 364.09456 181.8
[M-H]- 324.12412 176.9
[M+Na-2H]- 346.10607 178.5
[M]+ 325.13085 177.1
[M]- 325.13195 177.1
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