CID 3003581

.alpha.-d-glucopyranoside, 6-[(aminoiminomethyl)amino]-6-deoxy-.alpha.-d-glucopyranosyl 6-[(aminoiminomethyl)amino]-6-deoxy-

Structural Information

Molecular Formula
C14H28N6O9
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN=C(N)N)O)O)O)O)O)O)N=C(N)N
InChI
InChI=1S/C14H28N6O9/c15-13(16)19-1-3-5(21)7(23)9(25)11(27-3)29-12-10(26)8(24)6(22)4(28-12)2-20-14(17)18/h3-12,21-26H,1-2H2,(H4,15,16,19)(H4,17,18,20)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
InChIKey
RYSDKXFWOGEMJS-LIZSDCNHSA-N
Compound name
2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-[(diaminomethylideneamino)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

424.19177 Da
Monoisotopic Mass

-7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.19905 206.3
[M+Na]+ 447.18099 204.9
[M-H]- 423.18449 199.1
[M+NH4]+ 442.22559 206.3
[M+K]+ 463.15493 211.1
[M+H-H2O]+ 407.18903 195.5
[M+HCOO]- 469.18997 208.5
[M+CH3COO]- 483.20562 242.0
[M+Na-2H]- 445.16644 239.3
[M]+ 424.19122 218.2
[M]- 424.19232 218.2
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

No patent data available for this compound.