CID 44153819

N2,n6-di-d-gluconoyl-l-lysine

Structural Information

Molecular Formula
C18H34N2O14
SMILES
C(CCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C18H34N2O14/c21-5-8(23)10(25)12(27)14(29)16(31)19-4-2-1-3-7(18(33)34)20-17(32)15(30)13(28)11(26)9(24)6-22/h7-15,21-30H,1-6H2,(H,19,31)(H,20,32)(H,33,34)/t7-,8+,9+,10+,11+,12-,13-,14+,15+/m0/s1
InChIKey
KIKVLMJAIJTXBU-RUGJADPBSA-N
Compound name
(2S)-2,6-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.201 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.208276 200.2
[M+Na]+ 525.190218 197.2
[M-H]- 501.193724 200.6
[M+NH4]+ 520.234823 200.8
[M+K]+ 541.164158 195.3
[M+H-H2O]+ 485.198260 182.7
[M+HCOO]- 547.199201 203.1
[M+CH3COO]- 561.214851 232.4
[M+Na-2H]- 523.175666 228.9
[M]+ 502.20045142 218.0
[M]- 502.20154858 218.0
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.