CID 12900379

Wao3we4tpt

Structural Information

Molecular Formula
C16H33N5O6
SMILES
C[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@H]([C@H]2O)N(C)C(=O)CN)O)O)N)N)N
InChI
InChI=1S/C16H33N5O6/c1-6(18)8-4-3-7(19)16(26-8)27-15-10(20)12(23)13(24)11(14(15)25)21(2)9(22)5-17/h6-8,10-16,23-25H,3-5,17-20H2,1-2H3/t6-,7+,8-,10-,11+,12-,13+,14+,15+,16+/m0/s1
InChIKey
OWTJVZIKRRJXGS-MAEXYVIMSA-N
Compound name
2-amino-N-[(1R,2R,3R,4S,5S,6R)-4-amino-3-[(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]oxan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

11
Patents

391.24307 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25035 196.0
[M+Na]+ 414.23229 196.0
[M-H]- 390.23579 197.8
[M+NH4]+ 409.27689 202.2
[M+K]+ 430.20623 197.2
[M+H-H2O]+ 374.24033 187.7
[M+HCOO]- 436.24127 207.6
[M+CH3COO]- 450.25692 236.6
[M+Na-2H]- 412.21774 187.4
[M]+ 391.24252 186.0
[M]- 391.24362 186.0
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.