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]+ 370.164896 187.8
[M+Na]+ 392.146838 190.8
[M-H]- 368.150344 189.8
[M+NH4]+ 387.191443 201.5
[M+K]+ 408.120778 188.3
[M+H-H2O]+ 352.154880 181.3
[M+HCOO]- 414.155821 202.8
[M+CH3COO]- 428.171471 217.0
[M+Na-2H]- 390.132286 186.1
[M]+ 369.15707142 189.0
[M]- 369.15816858 189.0
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.