CID 72983473

L-dopa 3'-glucoside

Structural Information

Molecular Formula
C15H21NO9
SMILES
C1=CC(=C(C=C1CC(C(=O)O)N)OC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C15H21NO9/c16-7(14(22)23)3-6-1-2-8(18)9(4-6)24-15-13(21)12(20)11(19)10(5-17)25-15/h1-2,4,7,10-13,15,17-21H,3,5,16H2,(H,22,23)
InChIKey
NIMVDZOWEYJNTR-UHFFFAOYSA-N
Compound name
2-amino-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.12164 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12892 180.3
[M+Na]+ 382.11086 185.7
[M+NH4]+ 377.15546 181.7
[M+K]+ 398.08480 186.9
[M-H]- 358.11436 179.0
[M+Na-2H]- 380.09631 177.9
[M]+ 359.12109 179.8
[M]- 359.12219 179.8
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.