CID 512280

2-guanidino-n-[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-((2s,3s,4r,5r,6r)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-ylmethyl]-acetamide

Structural Information

Molecular Formula
C15H28N4O11
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)CO)O)O)O)O)O)O)NC(=O)CN=C(N)N
InChI
InChI=1S/C15H28N4O11/c16-15(17)19-2-6(21)18-1-4-7(22)9(24)11(26)13(28-4)30-14-12(27)10(25)8(23)5(3-20)29-14/h4-5,7-14,20,22-27H,1-3H2,(H,18,21)(H4,16,17,19)/t4-,5-,7-,8+,9+,10-,11-,12+,13-,14+/m1/s1
InChIKey
SJAYWDXQFUVEMJ-BNPYQMAMSA-N
Compound name
2-(diaminomethylideneamino)-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.17545 Da
Monoisotopic Mass

-5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18273 206.7
[M+Na]+ 463.16467 205.3
[M-H]- 439.16817 199.5
[M+NH4]+ 458.20927 206.2
[M+K]+ 479.13861 209.0
[M+H-H2O]+ 423.17271 196.0
[M+HCOO]- 485.17365 208.5
[M+CH3COO]- 499.18930 235.5
[M+Na-2H]- 461.15012 236.1
[M]+ 440.17490 213.7
[M]- 440.17600 213.7
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

No patent data available for this compound.