CID 124665107

(2r,3r)-2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxy-4-methylpentanoic acid

Structural Information

Molecular Formula
C21H23NO5
SMILES
CC(C)[C@H]([C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C21H23NO5/c1-12(2)19(23)18(20(24)25)22-21(26)27-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-19,23H,11H2,1-2H3,(H,22,26)(H,24,25)/t18-,19-/m1/s1
InChIKey
LYRGLIQVUMAZJU-RTBURBONSA-N
Compound name
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15762 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 186.4
[M+Na]+ 392.14684 193.9
[M+NH4]+ 387.19144 191.6
[M+K]+ 408.12078 192.4
[M-H]- 368.15034 186.1
[M+Na-2H]- 390.13229 187.1
[M]+ 369.15707 186.8
[M]- 369.15817 186.8
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.