CID 46737424

1217603-41-2

Structural Information

Molecular Formula
C20H21NO5
SMILES
CC(C)([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
InChI
InChI=1S/C20H21NO5/c1-20(2,25)17(18(22)23)21-19(24)26-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16-17,25H,11H2,1-2H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKey
KIOMNBRJPAICIT-QGZVFWFLSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

355.14197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 181.6
[M+Na]+ 378.13119 189.7
[M+NH4]+ 373.17579 187.1
[M+K]+ 394.10513 188.2
[M-H]- 354.13469 181.1
[M+Na-2H]- 376.11664 183.3
[M]+ 355.14142 182.2
[M]- 355.14252 182.2
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