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

51
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 182.8
[M+Na]+ 378.13119 187.4
[M-H]- 354.13469 185.2
[M+NH4]+ 373.17579 197.4
[M+K]+ 394.10513 184.4
[M+H-H2O]+ 338.13923 177.0
[M+HCOO]- 400.14017 198.6
[M+CH3COO]- 414.15582 212.5
[M+Na-2H]- 376.11664 185.3
[M]+ 355.14142 184.5
[M]- 355.14252 184.5
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

patents stripe