CID 70678837

2'-deamino-2'-hydroxy-6'-dehydroparomamine(2+)

Structural Information

Molecular Formula
C12H22N2O8
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)O)O)O)N
InChI
InChI=1S/C12H22N2O8/c13-3-1-4(14)11(9(19)6(3)16)22-12-10(20)8(18)7(17)5(2-15)21-12/h2-12,16-20H,1,13-14H2/t3-,4+,5-,6+,7-,8+,9-,10-,11-,12-/m1/s1
InChIKey
NINNJPOSRPHVPI-JCLMPDJQSA-N
Compound name
(2S,3S,4S,5R,6S)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

322.1376 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14488 171.1
[M+Na]+ 345.12682 175.3
[M+NH4]+ 340.17142 173.4
[M+K]+ 361.10076 176.3
[M-H]- 321.13032 171.0
[M+Na-2H]- 343.11227 167.4
[M]+ 322.13705 170.6
[M]- 322.13815 170.6
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

patents stripe