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]+ 314.12343 169.4
[M+Na]+ 336.10537 174.1
[M-H]- 312.10887 171.5
[M+NH4]+ 331.14997 179.6
[M+K]+ 352.07931 173.0
[M+H-H2O]+ 296.11341 162.2
[M+HCOO]- 358.11435 183.9
[M+CH3COO]- 372.13000 200.4
[M+Na-2H]- 334.09082 169.6
[M]+ 313.11560 167.6
[M]- 313.11670 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.