CID 169492796

Chebi:228152

Structural Information

Molecular Formula
C15H19NO8
SMILES
C1[C@H]([C@H]([C@@H]([C@](O1)(C=N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)O)O)O
InChI
InChI=1S/C15H19NO8/c17-9-3-1-8(2-4-9)5-10(14(21)22)16-7-15(23)13(20)12(19)11(18)6-24-15/h1-4,7,10-13,17-20,23H,5-6H2,(H,21,22)/t10-,11+,12+,13-,15+/m0/s1
InChIKey
WABMICCKGLZQJE-IHWVXMPCSA-N
Compound name
(2S)-3-(4-hydroxyphenyl)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylideneamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.11105 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11833 174.8
[M+Na]+ 364.10027 178.6
[M-H]- 340.10377 175.3
[M+NH4]+ 359.14487 184.7
[M+K]+ 380.07421 177.7
[M+H-H2O]+ 324.10831 168.6
[M+HCOO]- 386.10925 186.8
[M+CH3COO]- 400.12490 202.5
[M+Na-2H]- 362.08572 175.4
[M]+ 341.11050 171.9
[M]- 341.11160 171.9
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

No patent data available for this compound.