CID 129372170

(3r)-4-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanoic acid

Structural Information

Molecular Formula
C20H21NO4
SMILES
C[C@H](CC(=O)O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-13(10-19(22)23)11-21-20(24)25-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKey
FJQMOICNHNBVMZ-CYBMUJFWSA-N
Compound name
(3R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.2
[M+Na]+ 362.13628 189.8
[M+NH4]+ 357.18088 186.8
[M+K]+ 378.11022 185.9
[M-H]- 338.13978 181.4
[M+Na-2H]- 360.12173 182.8
[M]+ 339.14651 181.5
[M]- 339.14761 181.5
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

No patent data available for this compound.