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 179.4
[M+Na]+ 382.11086 182.6
[M-H]- 358.11436 178.3
[M+NH4]+ 377.15546 185.8
[M+K]+ 398.08480 182.0
[M+H-H2O]+ 342.11890 172.1
[M+HCOO]- 404.11984 189.0
[M+CH3COO]- 418.13549 207.8
[M+Na-2H]- 380.09631 175.7
[M]+ 359.12109 176.2
[M]- 359.12219 176.2
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.