PubChemLite - N2-maltulosylarginine (C18H34N4O12)

Structural Information

Molecular Formula

SMILES

C1C(C(C(C(O1)(CNC(CCCN=C(N)N)C(=O)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C18H34N4O12/c19-17(20)21-3-1-2-7(15(29)30)22-6-18(31)14(28)11(25)9(5-32-18)34-16-13(27)12(26)10(24)8(4-23)33-16/h7-14,16,22-28,31H,1-6H2,(H,29,30)(H4,19,20,21)

InChIKey

ZAZHPBXBNGWCDV-UHFFFAOYSA-N

Compound name

5-(diaminomethylideneamino)-2-[[2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methylamino]pentanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	499.22460	212.0
[M+Na]+	521.20654	210.5
[M-H]-	497.21004	205.9
[M+NH4]+	516.25114	211.6
[M+K]+	537.18048	213.0
[M+H-H2O]+	481.21458	200.7
[M+HCOO]-	543.21552	213.8
[M+CH3COO]-	557.23117	245.0
[M+Na-2H]-	519.19199	242.5
[M]+	498.21677	219.9
[M]-	498.21787	219.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.22460

212.0

[M+Na]+

521.20654

210.5

[M-H]-

497.21004

205.9

[M+NH4]+

516.25114

211.6

[M+K]+

537.18048

213.0

[M+H-H2O]+

481.21458

200.7

[M+HCOO]-

543.21552

213.8

[M+CH3COO]-

557.23117

245.0

[M+Na-2H]-

519.19199

242.5

[M]+

498.21677

219.9

[M]-

498.21787

219.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N2-maltulosylarginine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe