CID 44150216

N-(2-aminophenyl)-d-gluconamide

Structural Information

Molecular Formula
C12H18N2O6
SMILES
C1=CC=C(C(=C1)N)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C12H18N2O6/c13-6-3-1-2-4-7(6)14-12(20)11(19)10(18)9(17)8(16)5-15/h1-4,8-11,15-19H,5,13H2,(H,14,20)/t8-,9-,10+,11-/m1/s1
InChIKey
GAJMSPIFEDMQCT-CHWFTXMASA-N
Compound name
(2R,3S,4R,5R)-N-(2-aminophenyl)-2,3,4,5,6-pentahydroxyhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1165 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.123776 164.0
[M+Na]+ 309.105718 165.4
[M-H]- 285.109224 159.9
[M+NH4]+ 304.150323 174.4
[M+K]+ 325.079658 164.5
[M+H-H2O]+ 269.113760 157.3
[M+HCOO]- 331.114701 177.8
[M+CH3COO]- 345.130351 196.3
[M+Na-2H]- 307.091166 160.9
[M]+ 286.11595142 158.1
[M]- 286.11704858 158.1
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.