CID 194393

Sporaricin b

Structural Information

Molecular Formula
C15H32N4O4
SMILES
CC(C1CCC(C(O1)OC2C(CC(C(C2O)NC)OC)N)N)N
InChI
InChI=1S/C15H32N4O4/c1-7(16)10-5-4-8(17)15(22-10)23-14-9(18)6-11(21-3)12(19-2)13(14)20/h7-15,19-20H,4-6,16-18H2,1-3H3
InChIKey
YGRYQFMCQIZSDG-UHFFFAOYSA-N
Compound name
3-amino-2-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-5-methoxy-6-(methylamino)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

332.24237 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.24965 183.3
[M+Na]+ 355.23159 184.6
[M-H]- 331.23509 186.7
[M+NH4]+ 350.27619 193.3
[M+K]+ 371.20553 184.1
[M+H-H2O]+ 315.23963 175.1
[M+HCOO]- 377.24057 197.8
[M+CH3COO]- 391.25622 222.2
[M+Na-2H]- 353.21704 178.6
[M]+ 332.24182 174.8
[M]- 332.24292 174.8
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