CID 3035679

Homospectinomycin dihydrochloride

Structural Information

Molecular Formula
C15H26N2O7
SMILES
C[C@@H]1CCC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O
InChI
InChI=1S/C15H26N2O7/c1-6-4-5-7(18)15(21)14(22-6)23-13-11(20)8(16-2)10(19)9(17-3)12(13)24-15/h6,8-14,16-17,19-21H,4-5H2,1-3H3/t6-,8-,9+,10+,11+,12-,13-,14+,15+/m1/s1
InChIKey
QUCDOQYZEHOJNX-XLBYJKOOSA-N
Compound name
(1R,3R,4S,5S,6R,7S,8R,10S,12R)-1,5,7-trihydroxy-12-methyl-4,6-bis(methylamino)-2,9,11-trioxatricyclo[8.5.0.03,8]pentadecan-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.174 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18128 183.7
[M+Na]+ 369.16322 188.0
[M+NH4]+ 364.20782 188.6
[M+K]+ 385.13716 186.1
[M-H]- 345.16672 186.4
[M+Na-2H]- 367.14867 180.3
[M]+ 346.17345 184.7
[M]- 346.17455 184.7
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.