CID 3055896

Sannamycin e

Structural Information

Molecular Formula
C13H28N4O4
SMILES
CNC1C(CC(C(C1O)OC2C(CCC(O2)CN)N)N)O
InChI
InChI=1S/C13H28N4O4/c1-17-10-9(18)4-8(16)12(11(10)19)21-13-7(15)3-2-6(5-14)20-13/h6-13,17-19H,2-5,14-16H2,1H3
InChIKey
CPVYVUXPFHPEFB-UHFFFAOYSA-N
Compound name
5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-(methylamino)cyclohexane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

304.21106 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.21834 173.7
[M+Na]+ 327.20028 175.8
[M-H]- 303.20378 176.1
[M+NH4]+ 322.24488 184.3
[M+K]+ 343.17422 174.2
[M+H-H2O]+ 287.20832 165.9
[M+HCOO]- 349.20926 188.4
[M+CH3COO]- 363.22491 213.2
[M+Na-2H]- 325.18573 170.8
[M]+ 304.21051 163.5
[M]- 304.21161 163.5
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