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 174.4
[M+Na]+ 344.14282 178.2
[M-H]- 320.14632 175.0
[M+NH4]+ 339.18742 183.3
[M+K]+ 360.11676 177.0
[M+H-H2O]+ 304.15086 167.4
[M+HCOO]- 366.15180 185.9
[M+CH3COO]- 380.16745 211.0
[M+Na-2H]- 342.12827 169.8
[M]+ 321.15305 165.6
[M]- 321.15415 165.6
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.