CID 175076

Sannamycin b

Structural Information

Molecular Formula
C15H32N4O4
SMILES
CNCC1CCC(C(O1)OC2C(CC(C(C2O)NC)OC)N)N
InChI
InChI=1S/C15H32N4O4/c1-18-7-8-4-5-9(16)15(22-8)23-14-10(17)6-11(21-3)12(19-2)13(14)20/h8-15,18-20H,4-7,16-17H2,1-3H3
InChIKey
GKYYNFPFPFRFFN-UHFFFAOYSA-N
Compound name
3-amino-2-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

332.24237 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.24965 181.8
[M+Na]+ 355.23159 183.3
[M-H]- 331.23509 185.6
[M+NH4]+ 350.27619 192.2
[M+K]+ 371.20553 182.5
[M+H-H2O]+ 315.23963 173.4
[M+HCOO]- 377.24057 198.0
[M+CH3COO]- 391.25622 221.5
[M+Na-2H]- 353.21704 179.4
[M]+ 332.24182 174.9
[M]- 332.24292 174.9
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

patents stripe