CID 51716

4-((6-deoxy-alpha-l-mannopyranosyl)amino)benzoic acid sodium salt

Structural Information

Molecular Formula
C13H17NO6
SMILES
C[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)NC2=CC=C(C=C2)C(=O)O)O)O)O
InChI
InChI=1S/C13H17NO6/c1-6-9(15)10(16)11(17)12(20-6)14-8-4-2-7(3-5-8)13(18)19/h2-6,9-12,14-17H,1H3,(H,18,19)/t6-,9+,10-,11-,12-/m0/s1
InChIKey
WOQRPBXJCRJRBC-UHUARQJVSA-N
Compound name
4-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

283.1056 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11288 163.0
[M+Na]+ 306.09482 171.8
[M+NH4]+ 301.13942 167.6
[M+K]+ 322.06876 169.8
[M-H]- 282.09832 164.8
[M+Na-2H]- 304.08027 164.6
[M]+ 283.10505 164.2
[M]- 283.10615 164.2
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.