CID 3056185

73491-60-8

Structural Information

Molecular Formula
C14H30N4O5
SMILES
CNC1C(C(C(C(C1OC)O)N)OC2C(CCC(O2)CN)N)O
InChI
InChI=1S/C14H30N4O5/c1-18-9-11(20)12(8(17)10(19)13(9)21-2)23-14-7(16)4-3-6(5-15)22-14/h6-14,18-20H,3-5,15-17H2,1-2H3
InChIKey
SPZPNNYPYCPIPT-UHFFFAOYSA-N
Compound name
2-amino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-6-methoxy-5-(methylamino)cyclohexane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

334.22162 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22890 181.1
[M+Na]+ 357.21084 183.4
[M-H]- 333.21434 183.6
[M+NH4]+ 352.25544 190.6
[M+K]+ 373.18478 182.5
[M+H-H2O]+ 317.21888 173.1
[M+HCOO]- 379.21982 195.6
[M+CH3COO]- 393.23547 220.3
[M+Na-2H]- 355.19629 177.2
[M]+ 334.22107 173.1
[M]- 334.22217 173.1
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