CID 46173949

6'-oxoparomamine(3+)

Structural Information

Molecular Formula
C12H23N3O7
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C=O)O)O)N)O)O)N
InChI
InChI=1S/C12H23N3O7/c13-3-1-4(14)11(10(20)7(3)17)22-12-6(15)9(19)8(18)5(2-16)21-12/h2-12,17-20H,1,13-15H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
InChIKey
GLTSSBZZNLCFQJ-HKEUSBCWSA-N
Compound name
(2S,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

321.1536 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16088 172.2
[M+Na]+ 344.14282 175.8
[M+NH4]+ 339.18742 174.7
[M+K]+ 360.11676 176.6
[M-H]- 320.14632 173.1
[M+Na-2H]- 342.12827 168.7
[M]+ 321.15305 171.9
[M]- 321.15415 171.9
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.