CID 3041559

4'-deoxy-1-ahb-neamine

Structural Information

Molecular Formula
C16H33N5O7
SMILES
C1C(OC(C(C1O)N)OC2C(CC(C(C2O)O)NC(=O)C(CCN)O)N)CN
InChI
InChI=1S/C16H33N5O7/c17-2-1-9(22)15(26)21-8-4-7(19)14(13(25)12(8)24)28-16-11(20)10(23)3-6(5-18)27-16/h6-14,16,22-25H,1-5,17-20H2,(H,21,26)
InChIKey
SZKHXDSPHASAPW-UHFFFAOYSA-N
Compound name
4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxy-2,3-dihydroxycyclohexyl]-2-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.238 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.24528 195.6
[M+Na]+ 430.22722 194.7
[M-H]- 406.23072 194.7
[M+NH4]+ 425.27182 199.8
[M+K]+ 446.20116 194.8
[M+H-H2O]+ 390.23526 187.2
[M+HCOO]- 452.23620 205.4
[M+CH3COO]- 466.25185 234.9
[M+Na-2H]- 428.21267 187.9
[M]+ 407.23745 184.3
[M]- 407.23855 184.3
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.