CID 90658724

N-methylanthraniloyl-beta-d-glucose

Structural Information

Molecular Formula
C14H19NO7
SMILES
CNC1=CC=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H19NO7/c1-15-8-5-3-2-4-7(8)13(20)22-14-12(19)11(18)10(17)9(6-16)21-14/h2-5,9-12,14-19H,6H2,1H3/t9-,10-,11+,12-,14+/m1/s1
InChIKey
DHAAXWJKELUANO-DIACKHNESA-N
Compound name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(methylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

313.11615 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.123426 169.4
[M+Na]+ 336.105368 174.1
[M-H]- 312.108874 171.5
[M+NH4]+ 331.149973 179.6
[M+K]+ 352.079308 173.0
[M+H-H2O]+ 296.113410 162.2
[M+HCOO]- 358.114351 183.9
[M+CH3COO]- 372.130001 200.4
[M+Na-2H]- 334.090816 169.6
[M]+ 313.11560142 167.6
[M]- 313.11669858 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.