CID 3068828

Dtxsid901003965

Structural Information

Molecular Formula
C16H34N4O4
SMILES
CCNCC1CCC(C(O1)OC2C(C(CC(C2O)N)OC)NC)N
InChI
InChI=1S/C16H34N4O4/c1-4-20-8-9-5-6-10(17)16(23-9)24-15-13(19-2)12(22-3)7-11(18)14(15)21/h9-16,19-21H,4-8,17-18H2,1-3H3
InChIKey
PTZHAWHRDRUQAZ-UHFFFAOYSA-N
Compound name
6-amino-2-[3-amino-6-(ethylaminomethyl)oxan-2-yl]oxy-4-methoxy-3-(methylamino)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.258 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.26528 186.0
[M+Na]+ 369.24722 187.0
[M-H]- 345.25072 189.6
[M+NH4]+ 364.29182 195.8
[M+K]+ 385.22116 186.0
[M+H-H2O]+ 329.25526 177.4
[M+HCOO]- 391.25620 201.8
[M+CH3COO]- 405.27185 224.5
[M+Na-2H]- 367.23267 183.1
[M]+ 346.25745 179.5
[M]- 346.25855 179.5
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

No patent data available for this compound.