CID 100982150

Fructose-arginine

Structural Information

Molecular Formula
C12H24N4O7
SMILES
C(C[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)CN=C(N)N
InChI
InChI=1S/C12H24N4O7/c13-12(14)15-3-1-2-6(11(22)23)16-4-7(18)9(20)10(21)8(19)5-17/h6,8-10,16-17,19-21H,1-5H2,(H,22,23)(H4,13,14,15)/t6-,8+,9+,10+/m0/s1
InChIKey
UEZWWYVAHKTISC-JZKKDOLYSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

77
Patents

336.1645 Da
Monoisotopic Mass

-6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.171776 176.2
[M+Na]+ 359.153718 174.3
[M-H]- 335.157224 168.9
[M+NH4]+ 354.198323 180.5
[M+K]+ 375.127658 175.8
[M+H-H2O]+ 319.161760 168.3
[M+HCOO]- 381.162701 170.8
[M+CH3COO]- 395.178351 215.3
[M+Na-2H]- 357.139166 169.0
[M]+ 336.16395142 170.0
[M]- 336.16504858 170.0
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

patents stripe