CID 75046985

N2-fructopyranosylarginine

Structural Information

Molecular Formula
C12H24N4O7
SMILES
C1C(C(C(C(O1)(CNC(CCCN=C(N)N)C(=O)O)O)O)O)O
InChI
InChI=1S/C12H24N4O7/c13-11(14)15-3-1-2-6(10(20)21)16-5-12(22)9(19)8(18)7(17)4-23-12/h6-9,16-19,22H,1-5H2,(H,20,21)(H4,13,14,15)
InChIKey
DLFIWFDONDYZKI-UHFFFAOYSA-N
Compound name
5-(diaminomethylideneamino)-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

336.1645 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17178 174.3
[M+Na]+ 359.15372 175.0
[M-H]- 335.15722 171.2
[M+NH4]+ 354.19832 183.5
[M+K]+ 375.12766 175.6
[M+H-H2O]+ 319.16176 167.9
[M+HCOO]- 381.16270 187.8
[M+CH3COO]- 395.17835 213.5
[M+Na-2H]- 357.13917 172.8
[M]+ 336.16395 167.7
[M]- 336.16505 167.7
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

patents stripe