CID 169492799

Chebi:228154

Structural Information

Molecular Formula
C15H19NO7
SMILES
C1[C@H]([C@H]([C@@H]([C@](O1)(C=N[C@@H](CC2=CC=CC=C2)C(=O)O)O)O)O)O
InChI
InChI=1S/C15H19NO7/c17-11-7-23-15(22,13(19)12(11)18)8-16-10(14(20)21)6-9-4-2-1-3-5-9/h1-5,8,10-13,17-19,22H,6-7H2,(H,20,21)/t10-,11+,12+,13-,15+/m0/s1
InChIKey
FFRKMPHJRHVTCF-IHWVXMPCSA-N
Compound name
(2S)-3-phenyl-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

325.11615 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12343 172.3
[M+Na]+ 348.10537 175.9
[M-H]- 324.10887 173.9
[M+NH4]+ 343.14997 183.4
[M+K]+ 364.07931 174.8
[M+H-H2O]+ 308.11341 165.9
[M+HCOO]- 370.11435 185.7
[M+CH3COO]- 384.13000 200.5
[M+Na-2H]- 346.09082 173.8
[M]+ 325.11560 169.2
[M]- 325.11670 169.2
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

No patent data available for this compound.