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]+ 356.149246 182.8
[M+Na]+ 378.131188 187.4
[M-H]- 354.134694 185.2
[M+NH4]+ 373.175793 197.4
[M+K]+ 394.105128 184.4
[M+H-H2O]+ 338.139230 177.0
[M+HCOO]- 400.140171 198.6
[M+CH3COO]- 414.155821 212.5
[M+Na-2H]- 376.116636 185.3
[M]+ 355.14142142 184.5
[M]- 355.14251858 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