CID 46737423

1562432-09-0

Structural Information

Molecular Formula
C20H21NO5
SMILES
CCOC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO5/c1-2-25-12-18(19(22)23)21-20(24)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,2,11-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKey
KLEJEVDXSXCTFY-SFHVURJKSA-N
Compound name
(2S)-3-ethoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

355.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.149246 183.0
[M+Na]+ 378.131188 187.6
[M-H]- 354.134694 186.4
[M+NH4]+ 373.175793 198.1
[M+K]+ 394.105128 184.7
[M+H-H2O]+ 338.139230 175.9
[M+HCOO]- 400.140171 201.9
[M+CH3COO]- 414.155821 214.3
[M+Na-2H]- 376.116636 184.5
[M]+ 355.14142142 186.9
[M]- 355.14251858 186.9
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